Exact Mass: 631.3580954

Exact Mass Matches: 631.3580954

Found 214 metabolites which its exact mass value is equals to given mass value 631.3580954, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

(2-{[(2R)-3-(acetyloxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C30H50NO11P (631.312132)


PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

(2-{[(2R)-2-(acetyloxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C30H50NO11P (631.312132)


PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   
   
   
   

(32S,6S)-6-benzyl-31-[N-(N,N-dimethyl-L-leucyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin C|amphibine-C

(32S,6S)-6-benzyl-31-[N-(N,N-dimethyl-L-leucyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin C|amphibine-C

C36H49N5O5 (631.3733503999999)


   
   

(32S,6S)-6-(S)-sec-butyl-31-[N-(N,N-dimethyl-L-phenylalanyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin D|amphibine-D

(32S,6S)-6-(S)-sec-butyl-31-[N-(N,N-dimethyl-L-phenylalanyl)-L-isoleucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Amphibin D|amphibine-D

C36H49N5O5 (631.3733503999999)


   
   

(25S)-16alpha-acetoxy-3beta-beta-D-glucopyranosyloxy-16,28-seco-solanida-5,22(28)-dien-24-one|Veralodinin|veralodinine

(25S)-16alpha-acetoxy-3beta-beta-D-glucopyranosyloxy-16,28-seco-solanida-5,22(28)-dien-24-one|Veralodinin|veralodinine

C35H53NO9 (631.3720128)


   
   
   
   
   

Asp Arg Arg Trp

(3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}propanoic acid

C27H41N11O7 (631.3190276)


   

Asp Arg Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Asp Trp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Phe Phe Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Phe Phe Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C33H41N7O6 (631.3118165999999)


   

Phe Arg Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Phe Arg Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

Phe Tyr Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C33H41N7O6 (631.3118165999999)


   

Phe Tyr Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

Ile Lys Trp Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Ile Gln Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Ile Trp Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Ile Trp Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Ile Trp Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Ile Trp Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Lys Ile Trp Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Lys Leu Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Lys Trp Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Lys Trp Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Lys Trp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Lys Trp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Leu Lys Trp Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-methylpentanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Leu Gln Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Leu Trp Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Leu Trp Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Leu Trp Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Leu Trp Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Ile Trp Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Leu Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Trp Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Trp Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Trp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Gln Trp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Arg Asp Arg Trp

(3S)-3-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}propanoic acid

C27H41N11O7 (631.3190276)


   

Arg Asp Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Arg Phe Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Arg Phe Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

Arg Arg Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C27H41N11O7 (631.3190276)


   

Arg Arg Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C27H41N11O7 (631.3190276)


   

Arg Trp Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Arg Trp Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]butanedioic acid

C27H41N11O7 (631.3190276)


   

Arg Tyr Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Asp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Trp Ile Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Ile Gln Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Ile Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Ile Trp Gln

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Lys Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Lys Leu Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Lys Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Lys Trp Leu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Leu Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Leu Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Leu Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Leu Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Gln Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Gln Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Gln Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Gln Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Arg Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C27H41N11O7 (631.3190276)


   

Trp Arg Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]butanedioic acid

C27H41N11O7 (631.3190276)


   

Trp Trp Ile Lys

(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Trp Ile Gln

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Trp Lys Ile

(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Trp Lys Leu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-4-methylpentanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Trp Leu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]hexanoic acid

C34H45N7O5 (631.3481999999999)


   

Trp Trp Leu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Trp Gln Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Trp Trp Gln Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-methylpentanoic acid

C33H41N7O6 (631.3118165999999)


   

Tyr Phe Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C33H41N7O6 (631.3118165999999)


   

Tyr Phe Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

Tyr Arg Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C33H41N7O6 (631.3118165999999)


   

DRVKD

Asp-Arg-Val-Lys-Asp

C25H45N9O10 (631.328923)


   

RKICL

Arg Lys Ile Cys Leu

C27H53N9O6S (631.3839318)


   

OKOOA-PE

1-(9Z-octadecenoyl)-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phosphoethanolamine

C31H54NO10P (631.3485154)


   

Indinavir hydrate

Indinavir hydrate

C36H49N5O5 (631.3733503999999)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

   

(E)-(4S,6S)-6-((S)-2-{(S)-2-[(Furan-2-carbonyl)-amino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-8-methyl-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid ethyl ester

(E)-(4S,6S)-6-((S)-2-{(S)-2-[(Furan-2-carbonyl)-amino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-8-methyl-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid ethyl ester

C32H49N5O8 (631.3580954)


   

soyasapogenol E 3-O-beta-glucuronate

soyasapogenol E 3-O-beta-glucuronate

C36H55O9- (631.384588)


A monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol E 3-O-beta-glucuronide.

   
   

(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propyl]azanium

(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]propyl]azanium

C32H59N2O8S+ (631.3991914000001)


   

PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PC(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C30H50NO11P (631.312132)


   

PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

C30H50NO11P (631.312132)


   
   
   
   
   
   
   
   
   
   

2-amino-3-[[2-decanoyloxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-decanoyloxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H58NO9P (631.3848988)


   

2-amino-3-[[3-decoxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-decoxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H58NO9P (631.3848988)


   

2-amino-3-[[3-heptanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-heptanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H54NO10P (631.3485154)


   

2-amino-3-[hydroxy-[2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

2-amino-3-[hydroxy-[2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C31H54NO10P (631.3485154)


   

2-amino-3-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-nonanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-nonanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H54NO10P (631.3485154)


   

(2E,6S,8Z,10E,12S,14S,15R)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1S,2R,5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dienyl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

(2E,6S,8Z,10E,12S,14S,15R)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1S,2R,5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dienyl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

C35H53NO7S (631.3542548)


   

2-amino-3-[[2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H54NO10P (631.3485154)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

PS P-22:1/4:1 or PS O-22:2/4:1

PS P-22:1/4:1 or PS O-22:2/4:1

C32H58NO9P (631.3848988)


   
   

PS P-26:2 or PS O-26:3

PS P-26:2 or PS O-26:3

C32H58NO9P (631.3848988)


   
   
   
   
   
   
   
   
   
   
   
   
   

23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione

23-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione

C35H53NO9 (631.3720128)


   

(3s,4r,5r,7s,9r,12s,13s,15s,20s,21r,22r,23r)-23-[(1r,2s)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione

(3s,4r,5r,7s,9r,12s,13s,15s,20s,21r,22r,23r)-23-[(1r,2s)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,21,22-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1,10-diene-26,27-dione

C35H53NO9 (631.3720128)


   

6-(1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl)-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

6-(1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl)-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C34H49NO10 (631.3356294)


   

9-hexyl-7,15,18-trihydroxy-19-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

9-hexyl-7,15,18-trihydroxy-19-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

C35H53NO9 (631.3720128)


   

amphibin d

NA

C36H49N5O5 (631.3733503999999)


{"Ingredient_id": "HBIN015904","Ingredient_name": "amphibin d","Alias": "NA","Ingredient_formula": "C36H49N5O5","Ingredient_Smile": "CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(CC4=CC=CC=C4)N(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25581","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

amphibine D

amphibine d

C36H49N5O5 (631.3733503999999)


{"Ingredient_id": "HBIN015906","Ingredient_name": "amphibine D","Alias": "amphibine d","Ingredient_formula": "C36H49N5O5","Ingredient_Smile": "CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(CC4=CC=CC=C4)N(C)C","Ingredient_weight": "631.8","OB_score": "17.86528711","CAS_id": "38496-02-5","SymMap_id": "SMIT03945","TCMID_id": "1081","TCMSP_id": "MOL001550","TCM_ID_id": "NA","PubChem_id": "12306074","DrugBank_id": "NA"}

   

(2s)-n-[(2s)-1-[(7s,10s,13z)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

(2s)-n-[(2s)-1-[(7s,10s,13z)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

n-(1-{10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-4-methylpentanimidic acid

n-(1-{10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl}-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-4-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s)-n-[(2r,3r)-1-[(3r,7r,10s,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

(2s)-n-[(2r,3r)-1-[(3r,7r,10s,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C36H49N5O5 (631.3733503999999)


   

n-{1-[8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

n-{1-[8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13z)-10-[(2r)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13z)-10-[(2r)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

n-{1-[(13e)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-4-methylpentanimidic acid

n-{1-[(13e)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-4-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s)-n-[(2r,3s)-1-[(3s,7s,10r,13z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

(2s)-n-[(2r,3s)-1-[(3s,7s,10r,13z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

n-{1-[8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl}-2-(dimethylamino)-3-methylpentanimidic acid

n-{1-[8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl}-2-(dimethylamino)-3-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s)-3-{[(1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

(2s)-3-{[(1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C34H49NO8S (631.3178714000001)


   

n-{1-[(13z)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

n-{1-[(13z)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2e,6r,7s,9z,11e,13s,15s,16r)-6-[(1r,2r,3r,4e,6e)-1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl]-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

(2e,6r,7s,9z,11e,13s,15s,16r)-6-[(1r,2r,3r,4e,6e)-1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl]-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-8,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-8,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

C34H49NO10 (631.3356294)


   

(3s,6s,9r,12s,19r)-9-benzyl-3-[(2s)-butan-2-yl]-5,8,11,14,17-pentahydroxy-6-[(1r)-1-hydroxyethyl]-12-isopropyl-19-propyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

(3s,6s,9r,12s,19r)-9-benzyl-3-[(2s)-butan-2-yl]-5,8,11,14,17-pentahydroxy-6-[(1r)-1-hydroxyethyl]-12-isopropyl-19-propyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one

C32H49N5O8 (631.3580954)


   

(2e,6s,7s,8r,10z,12e,14r,16r,17s)-3-hexyl-7,8,14,16-tetrahydroxy-6-[(4e,6e)-3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl]-17-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one

(2e,6s,7s,8r,10z,12e,14r,16r,17s)-3-hexyl-7,8,14,16-tetrahydroxy-6-[(4e,6e)-3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl]-17-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one

C35H53NO7S (631.3542548)


   

n-{1-[(13e)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

n-{1-[(13e)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13e)-10-[(2r)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

(2s,3r)-n-[(2s)-1-[(3s,7s,10s,13e)-10-[(2r)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

(2s)-n-[(2r,3r)-1-[(3s,7s,10r,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

(2s)-n-[(2r,3r)-1-[(3s,7s,10r,13z)-10-[(2s)-butan-2-yl]-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C36H49N5O5 (631.3733503999999)


   

3-({3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-8-yl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propanoic acid

3-({3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-8-yl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propanoic acid

C34H49NO8S (631.3178714000001)


   

(9r,15r,19r,20as)-9-hexyl-7,15,18-trihydroxy-19-{[(2r,4s,5r,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

(9r,15r,19r,20as)-9-hexyl-7,15,18-trihydroxy-19-{[(2r,4s,5r,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

C35H53NO9 (631.3720128)


   

(2e,6s,8z,10e,12s,14s,15r)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1s,2r,3r,4r,5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

(2e,6s,8z,10e,12s,14s,15r)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1s,2r,3r,4r,5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(2s)-n-[(2s)-1-[(7s,10s,13e)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

(2s)-n-[(2s)-1-[(7s,10s,13e)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-4-methylpentanimidic acid

C36H49N5O5 (631.3733503999999)


   

3-hexyl-7,8,14,16-tetrahydroxy-6-(3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl)-17-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one

3-hexyl-7,8,14,16-tetrahydroxy-6-(3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl)-17-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(2z,6s,7r,9z,11e,13r,15r,16s)-6-[(1s,4e,6e)-1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl]-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

(2z,6s,7r,9z,11e,13r,15r,16s)-6-[(1s,4e,6e)-1,3-dihydroxy-2,4,6-trimethylocta-4,6-dien-1-yl]-3-hexyl-7,13,15-trihydroxy-16-methyl-5-oxa-18-thia-20-azabicyclo[15.2.1]icosa-1(19),2,9,11,17(20)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-4-(benzyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-4-(benzyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate

C34H49NO10 (631.3356294)


   

3-[(13s)-5,6,9,12,15,16-hexahydroxy-2-oxo-7-[(2e,4e,6e)-pentadeca-2,4,6,14-tetraen-1-yl]-3h,3ah,6h,7h,10h,13h,16h,16ah-furo[3,2-l]1,4,7,11-tetraazacyclopentadecan-13-yl]propanimidic acid

3-[(13s)-5,6,9,12,15,16-hexahydroxy-2-oxo-7-[(2e,4e,6e)-pentadeca-2,4,6,14-tetraen-1-yl]-3h,3ah,6h,7h,10h,13h,16h,16ah-furo[3,2-l]1,4,7,11-tetraazacyclopentadecan-13-yl]propanimidic acid

C31H45N5O9 (631.321712)


   

3-hexyl-12,14-dihydroxy-15-methyl-6-(1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl)-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

3-hexyl-12,14-dihydroxy-15-methyl-6-(1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl)-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

C35H53NO7S (631.3542548)


   

(2e,6r,8z,10e,12r,14r,15s)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1r,2s,5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

(2e,6r,8z,10e,12r,14r,15s)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1r,2s,5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one

C35H53NO7S (631.3542548)


   

9-hexyl-15,18-dihydroxy-19-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-8h,9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-7,11,17-trione

9-hexyl-15,18-dihydroxy-19-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-8h,9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-7,11,17-trione

C35H53NO9 (631.3720128)


   

4-(benzyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate

4-(benzyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate

C34H49NO10 (631.3356294)


   

(3s,4r,5r,7s,9r,12s,13r,15s,20s,21r,22r,23r)-23-[(1r,2s,3e)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-21,22,27-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1(27),10-diene-2,26-dione

(3s,4r,5r,7s,9r,12s,13r,15s,20s,21r,22r,23r)-23-[(1r,2s,3e)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-21,22,27-trihydroxy-5,7,13,20-tetramethyl-14,25-dioxa-24-azapentacyclo[22.2.2.0³,¹².0⁴,⁹.0¹³,¹⁵]octacosa-1(27),10-diene-2,26-dione

C35H53NO9 (631.3720128)


   

9-hexyl-7,15,18-trihydroxy-19-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

9-hexyl-7,15,18-trihydroxy-19-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2-methyl-9h,10h,12h,13h,14h,15h,16h,19h,20h,20ah-cyclopenta[i]azacyclononadecane-11,17-dione

C35H53NO9 (631.3720128)