Exact Mass: 619.3046056

Lolitriol

C37H49NO7 (619.3508844)

Glycylalanylprolylmethionylphenylalanylvalinamide

C29H45N7O6S (619.315187)

Glycylalanylprolylmethionylphenylalanylvalinamide is found in mollusks. Glycylalanylprolylmethionylphenylalanylvalinamide is isolated from the pedal ganglion of Mytilus edulis (blue mussel). Isolated from the pedal ganglion of Mytilus edulis (blue mussel). Glycylalanylprolylmethionylphenylalanylvalinamide is found in mollusks.

N-[(2S)-3-[4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide

C35H36F3N3O4 (619.2657772)

N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan

C34H45N5O6 (619.336967)

PC(2:0/20:3(8Z,11Z,14Z)-2OH(5,6))

C30H54NO10P (619.3485154)

PC(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 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(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl 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(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0)

C30H54NO10P (619.3485154)

PC(20:3(8Z,11Z,14Z)-2OH(5,6)/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(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0), in particular, consists of one chain of one 5,6-dihydroxyeicosatrienoyl 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).

Nummularine T

C33H41N5O7 (619.3005836)

cryptoechinuline D

C38H41N3O5 (619.3046056)

Cardiopimine

C35H41NO9 (619.2781176000001)

Cardiopinine

C35H41NO9 (619.2781176000001)

2-(2-{3-[2-(1,1-dimethyl-allyl)-indol-3-ylmethylene]-11-methyl-2,5-dioxo-1,4-diaza-spiro[5.5]undec-9-en-8-yl}-vinyl)-3,6-dihydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde|Cryptoechinulin D|Kryptoechinulin D

C38H41N3O5 (619.3046056)

Dihydrogagaminin

C36H45NO8 (619.3145010000001)

Arg Asn Leu Phe Gly

C28H45N9O7 (619.344178)

Lys Met Val Ser Arg

C25H49N9O7S (619.3475484)

Cys Arg Arg Trp

C26H41N11O5S (619.3012696000001)

Cys Arg Trp Arg

C26H41N11O5S (619.3012696000001)

Cys Trp Arg Arg

C26H41N11O5S (619.3012696000001)

Phe His Met Trp

C31H37N7O5S (619.2576752)

Phe His Trp Met

C31H37N7O5S (619.2576752)

Phe Lys Tyr Tyr

C33H41N5O7 (619.3005836)

Phe Met His Trp

C31H37N7O5S (619.2576752)

Phe Met Trp His

C31H37N7O5S (619.2576752)

Phe Gln Tyr Tyr

C32H37N5O8 (619.2642002)

Phe Trp His Met

C31H37N7O5S (619.2576752)

Phe Trp Met His

C31H37N7O5S (619.2576752)

Phe Tyr Lys Tyr

C33H41N5O7 (619.3005836)

Phe Tyr Gln Tyr

C32H37N5O8 (619.2642002)

Phe Tyr Tyr Lys

C33H41N5O7 (619.3005836)

Phe Tyr Tyr Gln

C32H37N5O8 (619.2642002)

His Phe Met Trp

C31H37N7O5S (619.2576752)

His Phe Trp Met

C31H37N7O5S (619.2576752)

His Met Phe Trp

C31H37N7O5S (619.2576752)

His Met Trp Phe

C31H37N7O5S (619.2576752)

His Trp Phe Met

C31H37N7O5S (619.2576752)

His Trp Met Phe

C31H37N7O5S (619.2576752)

Lys Phe Tyr Tyr

C33H41N5O7 (619.3005836)

Lys Met Arg Trp

C28H45N9O5S (619.32642)

Lys Met Trp Arg

C28H45N9O5S (619.32642)

Lys Arg Met Trp

C28H45N9O5S (619.32642)

Lys Arg Trp Met

C28H45N9O5S (619.32642)

Lys Thr Trp Trp

C32H41N7O6 (619.3118165999999)

Lys Trp Met Arg

C28H45N9O5S (619.32642)

Lys Trp Arg Met

C28H45N9O5S (619.32642)

Lys Trp Thr Trp

C32H41N7O6 (619.3118165999999)

Lys Trp Trp Thr

C32H41N7O6 (619.3118165999999)

Lys Tyr Phe Tyr

C33H41N5O7 (619.3005836)

Lys Tyr Tyr Phe

C33H41N5O7 (619.3005836)

Met Phe His Trp

C31H37N7O5S (619.2576752)

Met Phe Trp His

C31H37N7O5S (619.2576752)

Met His Phe Trp

C31H37N7O5S (619.2576752)

Met His Trp Phe

C31H37N7O5S (619.2576752)

Met Lys Arg Trp

C28H45N9O5S (619.32642)

Met Lys Trp Arg

C28H45N9O5S (619.32642)

Met Gln Arg Trp

C27H41N9O6S (619.2900366000001)

Met Gln Trp Arg

C27H41N9O6S (619.2900366000001)

Met Arg Lys Trp

C28H45N9O5S (619.32642)

Met Arg Gln Trp

C27H41N9O6S (619.2900366000001)

Met Arg Trp Lys

C28H45N9O5S (619.32642)

Met Arg Trp Gln

C27H41N9O6S (619.2900366000001)

Met Trp Phe His

C31H37N7O5S (619.2576752)

Met Trp His Phe

C31H37N7O5S (619.2576752)

Met Trp Lys Arg

C28H45N9O5S (619.32642)

Met Trp Gln Arg

C27H41N9O6S (619.2900366000001)

Met Trp Arg Lys

C28H45N9O5S (619.32642)

Met Trp Arg Gln

C27H41N9O6S (619.2900366000001)

Gln Phe Tyr Tyr

C32H37N5O8 (619.2642002)

Gln Met Arg Trp

C27H41N9O6S (619.2900366000001)

Gln Met Trp Arg

C27H41N9O6S (619.2900366000001)

Gln Arg Met Trp

C27H41N9O6S (619.2900366000001)

Gln Arg Trp Met

C27H41N9O6S (619.2900366000001)

Gln Thr Trp Trp

C31H37N7O7 (619.2754332)

Gln Trp Met Arg

C27H41N9O6S (619.2900366000001)

Gln Trp Arg Met

C27H41N9O6S (619.2900366000001)

Gln Trp Thr Trp

C31H37N7O7 (619.2754332)

Gln Trp Trp Thr

C31H37N7O7 (619.2754332)

Gln Tyr Phe Tyr

C32H37N5O8 (619.2642002)

Gln Tyr Tyr Phe

C32H37N5O8 (619.2642002)

Arg Cys Arg Trp

C26H41N11O5S (619.3012696000001)

Arg Cys Trp Arg

C26H41N11O5S (619.3012696000001)

Arg Lys Met Trp

C28H45N9O5S (619.32642)

Arg Lys Trp Met

C28H45N9O5S (619.32642)

Arg Met Lys Trp

C28H45N9O5S (619.32642)

Arg Met Gln Trp

C27H41N9O6S (619.2900366000001)

Arg Met Trp Lys

C28H45N9O5S (619.32642)

Arg Met Trp Gln

C27H41N9O6S (619.2900366000001)

Arg Gln Met Trp

C27H41N9O6S (619.2900366000001)

Arg Gln Trp Met

C27H41N9O6S (619.2900366000001)

Arg Arg Cys Trp

C26H41N11O5S (619.3012696000001)

Arg Arg Trp Cys

C26H41N11O5S (619.3012696000001)

Arg Trp Cys Arg

C26H41N11O5S (619.3012696000001)

Arg Trp Lys Met

C28H45N9O5S (619.32642)

Arg Trp Met Lys

C28H45N9O5S (619.32642)

Arg Trp Met Gln

C27H41N9O6S (619.2900366000001)

Arg Trp Gln Met

C27H41N9O6S (619.2900366000001)

Arg Trp Arg Cys

C26H41N11O5S (619.3012696000001)

Thr Lys Trp Trp

C32H41N7O6 (619.3118165999999)

Thr Gln Trp Trp

C31H37N7O7 (619.2754332)

Thr Trp Lys Trp

C32H41N7O6 (619.3118165999999)

Thr Trp Gln Trp

C31H37N7O7 (619.2754332)

Thr Trp Trp Lys

C32H41N7O6 (619.3118165999999)

Thr Trp Trp Gln

C31H37N7O7 (619.2754332)

Trp Cys Arg Arg

C26H41N11O5S (619.3012696000001)

Trp Phe His Met

C31H37N7O5S (619.2576752)

Trp Phe Met His

C31H37N7O5S (619.2576752)

Trp His Phe Met

C31H37N7O5S (619.2576752)

Trp His Met Phe

C31H37N7O5S (619.2576752)

Trp Lys Met Arg

C28H45N9O5S (619.32642)

Trp Lys Arg Met

C28H45N9O5S (619.32642)

Trp Lys Thr Trp

C32H41N7O6 (619.3118165999999)

Trp Lys Trp Thr

C32H41N7O6 (619.3118165999999)

Trp Met Phe His

C31H37N7O5S (619.2576752)

Trp Met His Phe

C31H37N7O5S (619.2576752)

Trp Met Lys Arg

C28H45N9O5S (619.32642)

Trp Met Gln Arg

C27H41N9O6S (619.2900366000001)

Trp Met Arg Lys

C28H45N9O5S (619.32642)

Trp Met Arg Gln

C27H41N9O6S (619.2900366000001)

Trp Gln Met Arg

C27H41N9O6S (619.2900366000001)

Trp Gln Arg Met

C27H41N9O6S (619.2900366000001)

Trp Gln Thr Trp

C31H37N7O7 (619.2754332)

Trp Gln Trp Thr

C31H37N7O7 (619.2754332)

Trp Arg Cys Arg

C26H41N11O5S (619.3012696000001)

Trp Arg Lys Met

C28H45N9O5S (619.32642)

Trp Arg Met Lys

C28H45N9O5S (619.32642)

Trp Arg Met Gln

C27H41N9O6S (619.2900366000001)

Trp Arg Gln Met

C27H41N9O6S (619.2900366000001)

Trp Arg Arg Cys

C26H41N11O5S (619.3012696000001)

Trp Thr Lys Trp

C32H41N7O6 (619.3118165999999)

Trp Thr Gln Trp

C31H37N7O7 (619.2754332)

Trp Thr Trp Lys

C32H41N7O6 (619.3118165999999)

Trp Thr Trp Gln

C31H37N7O7 (619.2754332)

Trp Trp Lys Thr

C32H41N7O6 (619.3118165999999)

Trp Trp Gln Thr

C31H37N7O7 (619.2754332)

Trp Trp Thr Lys

C32H41N7O6 (619.3118165999999)

Trp Trp Thr Gln

C31H37N7O7 (619.2754332)

Tyr Phe Lys Tyr

C33H41N5O7 (619.3005836)

Tyr Phe Gln Tyr

C32H37N5O8 (619.2642002)

Tyr Phe Tyr Lys

C33H41N5O7 (619.3005836)

Tyr Phe Tyr Gln

C32H37N5O8 (619.2642002)

Tyr Lys Phe Tyr

C33H41N5O7 (619.3005836)

Tyr Lys Tyr Phe

C33H41N5O7 (619.3005836)

Tyr Gln Phe Tyr

C32H37N5O8 (619.2642002)

Tyr Gln Tyr Phe

C32H37N5O8 (619.2642002)

Tyr Tyr Phe Lys

C33H41N5O7 (619.3005836)

Tyr Tyr Phe Gln

C32H37N5O8 (619.2642002)

Tyr Tyr Lys Phe

C33H41N5O7 (619.3005836)

Tyr Tyr Gln Phe

C32H37N5O8 (619.2642002)

KMVSR

C25H49N9O7S (619.3475484)

VYPEL

C30H45N5O9 (619.321712)

Glycylalanylprolylmethionylphenylalanylvalinamide

C29H45N7O6S (619.315187)

OHOHA-PE

C30H54NO10P (619.3485154)

Fmoc-Lys(Dabcyl)-OH

C36H37N5O5 (619.2794551999999)

Osteostatin (1-5) (human, bovine, dog, horse, mouse, rabbit, rat) trifluoroacetate salt

C27H41N9O8 (619.3077946000001)

Z-D-Arg(Mtr)-OH CHA

C30H45N5O7S (619.303954)

Z-Arg(Mtr)-OH.CHA

C30H45N5O7S (619.303954)

PAR-4 (1-6) (human) trifluoroacetate salt

C28H41N7O9 (619.2965616)

N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan

C34H45N5O6 (619.336967)

(2S,3R,6S,8S,13S,16S)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one

C37H49NO7 (619.3508844)

PC(2:0/20:3(8Z,11Z,14Z)-2OH(5,6))

C30H54NO10P (619.3485154)

PC(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0)

C30H54NO10P (619.3485154)

N-[3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(E)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide

C35H36F3N3O4 (619.2657772)

N-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

1-[[(2R,3S)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

1-[[(2S,3S)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

N-[(3S,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

3-cyclohexyl-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H40F3N5O5 (619.2981386)

N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

3-cyclohexyl-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H40F3N5O5 (619.2981386)

N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide

C32H49N3O7S (619.3291044)

1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

1-[[(2R,3S)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3R,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

1-[[(2S,3S)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

1-[[(2R,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C31H40F3N5O5 (619.2981386)

N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3R,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C33H41N5O7 (619.3005836)

N-[(3R,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3S,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3R,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3R,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3R,9R,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide

C31H45N3O8S (619.292721)

N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-4-fluorobenzenesulfonamide

C32H46FN3O6S (619.3091188000001)

1-Arachidonoyl-gpi

C29H48O12P- (619.2883238)

2-arachidonoyl-sn-glycero-3-phospho-(1D-myo-inositol)(1-)

C29H48O12P- (619.2883238)

Lnaps 6:0/N-18:2

C30H54NO10P (619.3485154)

Lnaps 2:0/N-22:2

C30H54NO10P (619.3485154)

Lnaps 20:2/N-4:0

C30H54NO10P (619.3485154)

Lnaps 17:2/N-7:0

C30H54NO10P (619.3485154)

Lnaps 4:0/N-20:2

C30H54NO10P (619.3485154)

Lnaps 18:2/N-6:0

C30H54NO10P (619.3485154)

Lnaps 8:0/N-16:2

C30H54NO10P (619.3485154)

Lnaps 3:0/N-21:2

C30H54NO10P (619.3485154)

Lnaps 21:2/N-3:0

C30H54NO10P (619.3485154)

Lnaps 5:0/N-19:2

C30H54NO10P (619.3485154)

Lnaps 22:2/N-2:0

C30H54NO10P (619.3485154)

Lnaps 19:2/N-5:0

C30H54NO10P (619.3485154)

Lnaps 7:0/N-17:2

C30H54NO10P (619.3485154)

Lnaps 16:2/N-8:0

C30H54NO10P (619.3485154)

2-amino-3-[[2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

2-amino-3-[[3-hexanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

2-amino-3-[[3-butanoyloxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

2-amino-3-[[2-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

2-amino-3-[[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxy-3-octanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

2-amino-3-[hydroxy-[2-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C30H54NO10P (619.3485154)

3-[[3-acetyloxy-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid

C30H54NO10P (619.3485154)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypentadeca-4,8,12-trien-2-yl]acetamide

C29H49NO13 (619.3203744)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]propanamide

C29H49NO13 (619.3203744)

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C33H50NO8P (619.327387)

1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)

C29H48O12P (619.2883238)

A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the 1-acyl group is specified as arachidonoyl.

PC 14:0/8:3;O2

C30H54NO10P (619.3485154)

PC 14:1/7:3;O3

C29H50NO11P (619.312132)

PC 14:1/8:2;O2

C30H54NO10P (619.3485154)

PC 18:2/4:1;O2

C30H54NO10P (619.3485154)

PC 21:4;O3

C29H50NO11P (619.312132)

PC 22:3;O2

C30H54NO10P (619.3485154)

LNAPE 28:8

C33H50NO8P (619.327387)

PE O-25:4;O3

C30H54NO10P (619.3485154)

PE P-18:0/7:3;O3

C30H54NO10P (619.3485154)

PE P-18:1/7:2;O3

C30H54NO10P (619.3485154)

PE 16:1/8:3;O3

C29H50NO11P (619.312132)

PE 18:0/7:3;O2

C30H54NO10P (619.3485154)

PE 18:1/7:2;O2

C30H54NO10P (619.3485154)

PE 20:2/5:1;O2

C30H54NO10P (619.3485154)

PE 24:4;O3

C29H50NO11P (619.312132)

LNAPS 23:3;O

C29H50NO11P (619.312132)

LNAPS 24:2

C30H54NO10P (619.3485154)

PS O-16:0/8:3;O

C30H54NO10P (619.3485154)

PS O-23:4;O2

C29H50NO11P (619.312132)

PS O-24:3;O

C30H54NO10P (619.3485154)

PS P-16:0/7:3;O2

C29H50NO11P (619.312132)

PS P-16:1/7:2;O2

C29H50NO11P (619.312132)

PS P-16:1/8:1;O

C30H54NO10P (619.3485154)

PS P-18:0/6:2;O

C30H54NO10P (619.3485154)

PS P-18:1/5:2;O2

C29H50NO11P (619.312132)

PS P-20:1/4:1;O

C30H54NO10P (619.3485154)

PS 14:1/8:3;O2

C28H46NO12P (619.2757486)

PS 16:0/7:3;O

C29H50NO11P (619.312132)

PS 18:2/5:1;O

C29H50NO11P (619.312132)

PS 18:3/4:1;O2

C28H46NO12P (619.2757486)

PS 22:4;O2

C28H46NO12P (619.2757486)

PS 23:3;O

C29H50NO11P (619.312132)

PS 20:1/4:1

C30H54NO10P (619.3485154)

PS 20:2/4:0

C30H54NO10P (619.3485154)

PS 22:2/2:0

C30H54NO10P (619.3485154)

PS 24:2

C30H54NO10P (619.3485154)

ST 21:0;O8;HexNAc

C29H49NO13 (619.3203744)

ST 23:6;O7;HexNAc

C31H41NO12 (619.2628626000001)

ST 24:5;O6;HexNAc

C32H45NO11 (619.299246)

ST 25:4;O5;HexNAc

C33H49NO10 (619.3356294)

ST 28:1;O7;Tau

C30H53NO10S (619.3389998)

Cyclo(RGDyK)

C27H41N9O8 (619.3077946000001)

Cyclo(RGDyK) is a potent and selective αVβ3 integrin inhibitor with an IC50 of 20 nM.

GW6471

C35H36F3N3O4 (619.2657772)

GW6471 is a potent PPARα antagonist.

2-[(1e)-2-[(3z,6r,8r,11s)-2,5-dihydroxy-11-methyl-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1,4-diazaspiro[5.5]undeca-1,4,9-trien-8-yl]ethenyl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

C38H41N3O5 (619.3046056)

arsenic selenide

As4Se4 (619.352468)

{"Ingredient_id": "HBIN016906","Ingredient_name": "arsenic selenide","Alias": "NA","Ingredient_formula": "As4Se4","Ingredient_Smile": "[As](=[Se])[Se][As]=[Se]","Ingredient_weight": "615.53","OB_score": "NA","CAS_id": "52126-83-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6627","PubChem_id": "14772","DrugBank_id": "NA"}

(2s,3r,6s,8s,9r,12s,13s,16s,22r,26r)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

(1r,2s,4ar,6s,7s,8s,8as,10ar)-8-[(2s)-4-hydroxy-2-methoxy-5-oxo-2h-furan-3-yl]-1-(hydroxymethyl)-6-methoxy-1,4a,7,8a-tetramethyl-decahydro-2h-phenanthren-2-yl 5-chloro-2-(methylamino)benzoate

C33H46ClNO8 (619.2911786000001)

(2s,3r,6s,8s,9r,10r,12r,13s,16s,22s,26r)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

3-[hydroxy({5-[(1-hydroxy-3-{hydroxy[5-({1-hydroxy-3-[hydroxy(5-hydroxypentyl)carbamoyl]propylidene}amino)pentyl]carbamoyl}propylidene)amino]pentyl})carbamoyl]propanoic acid

C27H49N5O11 (619.3428404)

(2s,3r,6s,8s,9r,12s,13s,16s,22s,26s)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

[(1r,2s,4ar,6s,7s,8s,8as,10ar)-2-hydroxy-8-[(2s)-4-hydroxy-2-methoxy-5-oxo-2h-furan-3-yl]-6-methoxy-1,4a,7,8a-tetramethyl-decahydro-2h-phenanthren-1-yl]methyl 5-chloro-2-(methylamino)benzoate

C33H46ClNO8 (619.2911786000001)

(2s,3r,6s,8s,9r,12s,13s,16s,22s,26r)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

n-(1-{10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl}-3-methyl-1-oxobutan-2-yl)-2-(n-methylformamido)propanimidic acid

C33H41N5O7 (619.3005836)

(2s,3r,6s,8s,13s,16s)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

2,5-dihydroxy-6-[2-(5-hydroxy-11-methyl-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-2-oxo-1,4-diazaspiro[5.5]undeca-4,9-dien-8-yl)ethenyl]-3-(3-methylbut-2-en-1-yl)benzaldehyde

C38H41N3O5 (619.3046056)

(1r,2s,3s,4s,5s,8r,9s,10r,11r,14r,16s,17r,18r,19r)-2,19-bis(acetyloxy)-3-hydroxy-5-methyl-12-methylidene-4-[(2-methylpropanoyl)oxy]-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl benzoate

C35H41NO9 (619.2781176000001)

9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.0²,¹⁶.0³,¹³.0⁶,¹².0¹⁰,¹².0¹⁹,³¹.0²⁰,²⁸.0²²,²⁶]dotriaconta-1(18),19,28,30-tetraen-27-one

C37H49NO7 (619.3508844)

(1r,2s,3s,4s,5s,8r,9s,11r,14r,16s,17r,18r,19s)-2,19-bis(acetyloxy)-3-hydroxy-5-methyl-12-methylidene-4-[(2-methylpropanoyl)oxy]-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl benzoate

C35H41NO9 (619.2781176000001)

(1r,2r,3r,4s,5s,8r,9s,10r,11r,14r,16s,17r,18r,19r)-2,19-bis(acetyloxy)-4-hydroxy-5-methyl-12-methylidene-3-[(2-methylpropanoyl)oxy]-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl benzoate

C35H41NO9 (619.2781176000001)

(1r,2s,3s,4s,5s,8r,9s,11r,14r,16s,17r,18r,19s)-2,19-bis(acetyloxy)-4-hydroxy-5-methyl-12-methylidene-3-[(2-methylpropanoyl)oxy]-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl benzoate

C35H41NO9 (619.2781176000001)