Exact Mass: 594.3168826
Exact Mass Matches: 594.3168826
Found 500 metabolites which its exact mass value is equals to given mass value 594.3168826
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Urobilin
Glucosyl-4,4-diaponeurosporenoate
Stercobilin
Stercobilin is the tetrapyrrole chemical compound that is primarily responsible for the brown color of feces. It was originally isolated from feces in 1932. Stercobilin is formed through the reduction of its parent compound stercblinogen. Urobilinogen is actually generated through the degradation of heme, the red pigment in haemoglobin and red blood cells (RBCs). RBCs have a life span of about 120 days. When the RBCs have reached the end of their useful lifespan, the cells are engulfed by macrophages and their constituents recycled or disposed of. Heme is broken down when the heme ring is opened by the enzyme known as heme oxygenase, which is found in the endoplasmic reticulum of the macrophages. The oxidation process produces the linear tetrapyrrole known as biliverdin along with ferric iron (Fe3+), and carbon monoxide (CO). In the next reaction, a second methylene group (located between rings III and IV of the porphyrin ring) is reduced by the enzyme known as biliverdin reductase, producing bilirubin. Bilirubin is significantly less extensively conjugated than biliverdin. This reduction causes a change in the color of the biliverdin molecule from blue-green (vert or verd for green) to yellow-red, which is the color of bilirubin (ruby or rubi for red). In plasma virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids unconjugated bilirubin dissociates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum. In hepatocytes, bilirubin-UDP-glucuronyltransferase (bilirubin-UGT) adds 2 additional glucuronic acid molecules to bilirubin to produce the more water-soluble version of the molecule known as bilirubin diglucuronide. The bilirubin diglucuronide is transferred rapidly across the canalicular membrane into the bile canaliculi where it is then excreted as bile into the large intestine. The bilirubin is further degraded (reduced) by microbes present in the large intestine to form a colorless product known as urobilinogen. Urobilinogen that remains in the colon can either be reduced to stercobilinogen and finally oxidized to stercobilin, or it can be directly reduced to stercobilin. Stercobilin is responsible for the brown color of human feces. Stercobilin is then excreted in the feces. It is a microbial metabolite.
Tyr-Gly-Gly-Trp-Leu
Tyr-ile-gly-ser-arg
PA(8:0/18:1(12Z)-2OH(9,10))
PA(8:0/18:1(12Z)-2OH(9,10)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(8:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(18:1(12Z)-2OH(9,10)/8:0)
PA(18:1(12Z)-2OH(9,10)/8:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(18:1(12Z)-2OH(9,10)/8:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of octanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
4,6,8,12,14,16-hexahydroxy-3-ethyl-15-carboxyl-27,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene B
sarmentogenin-3-O-6-O-acetyl-beta-D-allopyranoside
3-O-angeloyl-17-[(2Z,4E,6Z)-deca-2,4,6-trienoyloxy]ingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-6-[(2Z)-2-methyl-1-oxobutoxy]-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-1-yl]methyl (2Z,4E,6Z)-deca-2,4,6-trienoate
(25R)-2alpha,3beta,17alpha-trihydroxy-spirost-5-en-1beta-yl O-beta-D-xylopyranoside|atropuroside C
4,6,8,12,14,16-hexahydroxy-15-carboxyl-3,27-dimethyl-28-ethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene C
-16alpha-acetoxy-heteroclitalactone H|heteroclitalactone J
2-{[2,4,6-trihydroxy-5-(3-methyl-2-butenyl)-3-butanoylphenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin D
Trikendiol
A gamma-lactam that is an unusual red pigment isolated from the marine sponge Trikentrion laeve. It has been shown to exhibit anti-HIV1 activity.
Tyr Lys Glu Arg
Tyr Lys Arg Glu
Tyr Thr Arg Arg
C25H42N10O7 (594.3237782000001)
3-(2-methylbutanoyl)-3,4-di(3-methylbutanoyl)sucrose
YGGWL
Gluten exorphin B5 is an oligopeptide.
Ala Arg Trp Tyr
Ala Arg Tyr Trp
Ala Trp Arg Tyr
Ala Trp Tyr Arg
Ala Tyr Arg Trp
Ala Tyr Trp Arg
Asp Phe Lys Trp
Asp Phe Trp Lys
Asp Lys Phe Trp
Asp Lys Trp Phe
Asp Trp Phe Lys
Asp Trp Lys Phe
Glu Lys Arg Tyr
Glu Lys Tyr Arg
Glu Gln Arg Tyr
Glu Gln Tyr Arg
Glu Arg Lys Tyr
Glu Arg Gln Tyr
Glu Arg Tyr Lys
Glu Arg Tyr Gln
Glu Tyr Lys Arg
Glu Tyr Gln Arg
Glu Tyr Arg Lys
Glu Tyr Arg Gln
Phe Asp Lys Trp
Phe Asp Trp Lys
Phe Lys Asp Trp
Phe Lys Trp Asp
Phe Arg Ser Trp
Phe Arg Trp Ser
Phe Ser Arg Trp
Phe Ser Trp Arg
Phe Trp Asp Lys
Phe Trp Lys Asp
Phe Trp Arg Ser
Phe Trp Ser Arg
His Ile Tyr Tyr
His Leu Tyr Tyr
His Pro Arg Trp
C28H38N10O5 (594.3026497999999)
His Pro Trp Arg
C28H38N10O5 (594.3026497999999)
His Arg Pro Trp
C28H38N10O5 (594.3026497999999)
His Arg Trp Pro
C28H38N10O5 (594.3026497999999)
His Trp Pro Arg
C28H38N10O5 (594.3026497999999)
His Trp Arg Pro
C28H38N10O5 (594.3026497999999)
His Tyr Ile Tyr
His Tyr Leu Tyr
His Tyr Tyr Ile
His Tyr Tyr Leu
Ile His Tyr Tyr
Ile Asn Trp Tyr
Ile Asn Tyr Trp
Ile Trp Asn Tyr
Ile Trp Tyr Asn
Ile Tyr His Tyr
Ile Tyr Asn Trp
Ile Tyr Trp Asn
Ile Tyr Tyr His
Lys Asp Phe Trp
Lys Asp Trp Phe
Lys Glu Arg Tyr
Lys Glu Tyr Arg
Lys Phe Asp Trp
Lys Phe Trp Asp
Lys Arg Glu Tyr
Lys Arg Tyr Glu
Lys Val Trp Tyr
Lys Val Tyr Trp
Lys Trp Asp Phe
Lys Trp Phe Asp
Lys Trp Val Tyr
Lys Trp Tyr Val
Lys Tyr Glu Arg
Lys Tyr Arg Glu
Lys Tyr Val Trp
Lys Tyr Trp Val
Leu His Tyr Tyr
Leu Asn Trp Tyr
Leu Asn Tyr Trp
Leu Trp Asn Tyr
Leu Trp Tyr Asn
Leu Tyr His Tyr
Leu Tyr Asn Trp
Leu Tyr Trp Asn
Leu Tyr Tyr His
Asn Ile Trp Tyr
Asn Ile Tyr Trp
Asn Leu Trp Tyr
Asn Leu Tyr Trp
Asn Trp Ile Tyr
Asn Trp Leu Tyr
Asn Trp Tyr Ile
Asn Trp Tyr Leu
Asn Tyr Ile Trp
Asn Tyr Leu Trp
Asn Tyr Trp Ile
Asn Tyr Trp Leu
Pro His Arg Trp
C28H38N10O5 (594.3026497999999)
Pro His Trp Arg
C28H38N10O5 (594.3026497999999)
Pro Arg His Trp
C28H38N10O5 (594.3026497999999)
Pro Arg Trp His
C28H38N10O5 (594.3026497999999)
Pro Trp His Arg
C28H38N10O5 (594.3026497999999)
Pro Trp Arg His
C28H38N10O5 (594.3026497999999)
Gln Glu Arg Tyr
Gln Glu Tyr Arg
Gln Arg Glu Tyr
Gln Arg Tyr Glu
Gln Val Trp Tyr
Gln Val Tyr Trp
Gln Trp Val Tyr
Gln Trp Tyr Val
Gln Tyr Glu Arg
Gln Tyr Arg Glu
Gln Tyr Val Trp
Gln Tyr Trp Val
Arg Ala Trp Tyr
Arg Ala Tyr Trp
Arg Glu Lys Tyr
Arg Glu Gln Tyr
Arg Glu Tyr Lys
Arg Glu Tyr Gln
Arg Phe Ser Trp
Arg Phe Trp Ser
Arg His Pro Trp
C28H38N10O5 (594.3026497999999)
Arg His Trp Pro
C28H38N10O5 (594.3026497999999)
Arg Lys Glu Tyr
Arg Lys Tyr Glu
Arg Pro His Trp
C28H38N10O5 (594.3026497999999)
Arg Pro Trp His
C28H38N10O5 (594.3026497999999)
Arg Arg Thr Tyr
C25H42N10O7 (594.3237782000001)
Arg Arg Tyr Thr
C25H42N10O7 (594.3237782000001)
Arg Ser Phe Trp
Arg Ser Trp Phe
Arg Thr Arg Tyr
C25H42N10O7 (594.3237782000001)
Arg Thr Tyr Arg
C25H42N10O7 (594.3237782000001)
Arg Trp Ala Tyr
Arg Trp Phe Ser
Arg Trp His Pro
C28H38N10O5 (594.3026497999999)
Arg Trp Pro His
C28H38N10O5 (594.3026497999999)
Arg Trp Ser Phe
Arg Trp Tyr Ala
Arg Tyr Ala Trp
Arg Tyr Glu Lys
Arg Tyr Lys Glu
Arg Tyr Arg Thr
C25H42N10O7 (594.3237782000001)
Arg Tyr Thr Arg
C25H42N10O7 (594.3237782000001)
Arg Tyr Trp Ala
Ser Phe Arg Trp
Ser Phe Trp Arg
Ser Arg Phe Trp
Ser Arg Trp Phe
Ser Trp Phe Arg
Ser Trp Arg Phe
Thr Arg Arg Tyr
C25H42N10O7 (594.3237782000001)
Thr Arg Tyr Arg
C25H42N10O7 (594.3237782000001)
Thr Tyr Arg Arg
C25H42N10O7 (594.3237782000001)
Val Lys Trp Tyr
Val Lys Tyr Trp
Val Gln Trp Tyr
Val Gln Tyr Trp
Val Trp Lys Tyr
Val Trp Gln Tyr
Val Trp Tyr Lys
Val Trp Tyr Gln
Val Tyr Lys Trp
Val Tyr Gln Trp
Val Tyr Trp Lys
Val Tyr Trp Gln
Trp Ala Arg Tyr
Trp Ala Tyr Arg
Trp Asp Phe Lys
Trp Asp Lys Phe
Trp Phe Asp Lys
Trp Phe Lys Asp
Trp Phe Arg Ser
Trp Phe Ser Arg
Trp His Pro Arg
C28H38N10O5 (594.3026497999999)
Trp His Arg Pro
C28H38N10O5 (594.3026497999999)
Trp Ile Asn Tyr
Trp Ile Tyr Asn
Trp Lys Asp Phe
Trp Lys Phe Asp
Trp Lys Val Tyr
Trp Lys Tyr Val
Trp Leu Asn Tyr
Trp Leu Tyr Asn
Trp Asn Ile Tyr
Trp Asn Leu Tyr
Trp Asn Tyr Ile
Trp Asn Tyr Leu
Trp Pro His Arg
C28H38N10O5 (594.3026497999999)
Trp Pro Arg His
C28H38N10O5 (594.3026497999999)
Trp Gln Val Tyr
Trp Gln Tyr Val
Trp Arg Ala Tyr
Trp Arg Phe Ser
Trp Arg His Pro
C28H38N10O5 (594.3026497999999)
Trp Arg Pro His
C28H38N10O5 (594.3026497999999)
Trp Arg Ser Phe
Trp Arg Tyr Ala
Trp Ser Phe Arg
Trp Ser Arg Phe
Trp Val Lys Tyr
Trp Val Gln Tyr
Trp Val Tyr Lys
Trp Val Tyr Gln
Trp Tyr Ala Arg
Trp Tyr Ile Asn
Trp Tyr Lys Val
Trp Tyr Leu Asn
Trp Tyr Asn Ile
Trp Tyr Asn Leu
Trp Tyr Gln Val
Trp Tyr Arg Ala
Trp Tyr Val Lys
Trp Tyr Val Gln
Tyr Ala Arg Trp
Tyr Ala Trp Arg
Tyr Glu Lys Arg
Tyr Glu Arg Lys
Tyr His Ile Tyr
Tyr His Leu Tyr
Tyr His Tyr Ile
Tyr His Tyr Leu
Tyr Ile His Tyr
Tyr Ile Asn Trp
Tyr Ile Trp Asn
Tyr Ile Tyr His
Tyr Lys Val Trp
Tyr Lys Trp Val
Tyr Leu His Tyr
Tyr Leu Asn Trp
Tyr Leu Trp Asn
Tyr Leu Tyr His
Tyr Asn Ile Trp
Tyr Asn Leu Trp
Tyr Asn Trp Ile
Tyr Asn Trp Leu
Tyr Gln Val Trp
Tyr Gln Trp Val
Tyr Arg Ala Trp
Tyr Arg Glu Lys
Tyr Arg Lys Glu
Tyr Arg Arg Thr
C25H42N10O7 (594.3237782000001)
Tyr Arg Thr Arg
C25H42N10O7 (594.3237782000001)
Tyr Arg Trp Ala
Tyr Val Lys Trp
Tyr Val Gln Trp
Tyr Val Trp Lys
Tyr Val Trp Gln
Tyr Trp Ala Arg
Tyr Trp Ile Asn
Tyr Trp Lys Val
Tyr Trp Leu Asn
Tyr Trp Asn Ile
Tyr Trp Asn Leu
Tyr Trp Gln Val
Tyr Trp Arg Ala
Tyr Trp Val Lys
Tyr Trp Val Gln
Tyr Tyr His Ile
Tyr Tyr His Leu
Tyr Tyr Ile His
Tyr Tyr Leu His
PI(18:3(6Z,9Z,12Z)/0:0)
C27H47O12P (594.2804991999999)
PI(18:3(9Z,12Z,15Z)/0:0)
C27H47O12P (594.2804991999999)
LPI 18:3
C27H47O12P (594.2804991999999)
Sodium tauroglycocholate
C28H47N2NaO8S (594.2950662000001)
Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=41945-48-6 (retrieved 2024-07-16) (CAS RN: 41945-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
21H,23H-Porphine-2,18-dipropanoicacid, 7,12-diethyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-[n[(Phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n
C32H42N4O7 (594.3053342000001)
Tyr-Gly-Gly-Trp-Leu
3-[(11R,12R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid
3-[(21S,22S)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-11-(2-methylpropyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(21S,22S)-11,26-diethyl-12-formyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(21S,22S)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21-tetramethyl-11-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
3-[(3R,21S,22S)-16-Ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]propanoic acid
S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (Z)-hexadec-9-enethioate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C27H47O12P (594.2804991999999)
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-heptadec-9-enoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-henicos-11-enoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-nonadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-octadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-henicos-11-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-icos-11-enoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-nonadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-phosphonooxy-3-[(E)-tridec-8-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
S-hexadecanoyl-4-phosphopantetheine(2-)
An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-hexadecanoyl-4-phosphopantetheine; major species at pH 7.3.
(11s)-11-[(4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl)oxy]-4-isopropyl-8,8-dimethyl-9h,10h,11h-naphtho[1,2-c]oxepine-1,3-dione
(2e)-4-[(1r,2r,7s,14s,15s,16s,18s)-11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal
11-[(4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl)oxy]-4-isopropyl-8,8-dimethyl-9h,10h,11h-naphtho[1,2-c]oxepine-1,3-dione
(1r,2s,3r,4r,4as,8ar)-2-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3-hydroxy-3,4,8,8a-tetramethyl-4-[(1e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl benzoate
2-{2,4-dihydroxy-4-methyl-3,6-bis[(2-methylbut-2-enoyl)oxy]-5-oxocyclohexyl}-5-hydroxy-6-methoxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
{[(4e,6r,8s,9s,10e,12s,13r,14s,16r)-3,6,13,22-tetrahydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,21-dioxo-2-azabicyclo[16.3.1]docosa-1(22),2,4,10,18-pentaen-9-yl]oxy}methanimidic acid
5,6-dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-11-{[(2-methylbut-2-enoyl)oxy]methyl}-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl deca-2,4,6-trienoate
(1s,4s,5s,6r,9s,10r,11r,12r,14r)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-11-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl (2e,4e,6e)-deca-2,4,6-trienoate
12-o-cinnamoyl-20-o-tigloyl sarcostin
{"Ingredient_id": "HBIN000927","Ingredient_name": "12-o-cinnamoyl-20-o-tigloyl sarcostin","Alias": "NA","Ingredient_formula": "C35H46O8","Ingredient_Smile": "CC=C(C)C(=O)OC(C)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C=CC5=CC=CC=C5)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3722","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4(15)-eudesmene-1,6,11,14-tetrol; (1α,5β,6β,10α)-form,6-o-[beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN009832","Ingredient_name": "4(15)-eudesmene-1,6,11,14-tetrol; (1\u03b1,5\u03b2,6\u03b2,10\u03b1)-form,6-o-[beta-d-glucopyranosyl-(1\u21926)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C27H46O14","Ingredient_Smile": "NA","Ingredient_weight": "594.65","OB_score": "NA","CAS_id": "256528-97-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7976","PubChem_id": "NA","DrugBank_id": "NA"}