Exact Mass: 887.2091
Exact Mass Matches: 887.2091
Found 29 metabolites which its exact mass value is equals to given mass value 887.2091,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-trans,5-cis-Octadienoyl-CoA
4-({[({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonomethyl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,4Z)-octa-2,4-dienoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
3-trans,5-cis-Octadienoyl-CoA is a metabolite formed during the beta-oxidation of unsaturated fatty acids with double bonds extending from odd-numbered carbon atoms by mitochondrial delta 3,delta 2-enoyl-CoA isomerase (EC 5.3.3.8) from 2-trans-5-cis-octadienoyl-CoA. 2-trans-5-cis-octadienoyl-CoA is formed by medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) from 5-cis-Octenoyl-CoA, a putative metabolite of linolenic acid.(PMID 1495956) [HMDB] 3-trans,5-cis-Octadienoyl-CoA is a metabolite formed during the beta-oxidation of unsaturated fatty acids with double bonds extending from odd-numbered carbon atoms by mitochondrial delta 3,delta 2-enoyl-CoA isomerase (EC 5.3.3.8) from 2-trans-5-cis-octadienoyl-CoA. 2-trans-5-cis-octadienoyl-CoA is formed by medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) from 5-cis-Octenoyl-CoA, a putative metabolite of linolenic acid.(PMID 1495956).
Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside
Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside
Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside)
Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside)
Malvidin 3-O- (6-O- (4-O-malonyl-alpha-rhamnopyranosyl) -beta-glucopyranoside) -5-O-beta-glucopyranoside
2- (4-Hydroxy-3,5-dimethoxyphenyl) -3- [ [ 6-O- [ 4-O- (carboxyacetyl) -alpha-L-rhamnopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-1-benzopyrylium
Salviamalvin
3,5,7,4-Tetrahydroxy-3,5-dimethoxyflavylium 3- (6"-p-coumarylglucoside) -5- (6"-malonylglucoside)
lissoclibadin 1
lissoclibadin 1
An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
cyanidin O-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]
cyanidin O-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-methylcyclohexa-1,5-diene-1-carbothioate
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-methylcyclohexa-1,5-diene-1-carbothioate
2-(3,4-dihydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl}oxy)chromenium-5,7-diolate
2-(3,4-dihydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl}oxy)chromenium-5,7-diolate
trans-oct-2-enoyl-CoA(4-)
trans-oct-2-enoyl-CoA(4-)
A trans-2,3-didehydroacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans-oct-2-enoyl-CoA; major species at pH 7.3.
cis-3-octenoyl-CoA(4-)
cis-3-octenoyl-CoA(4-)
A cis-3-enoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of cis-3-octenoyl-CoA; major species at pH 7.3.
(3E)-octenoyl-CoA(4-)
(3E)-octenoyl-CoA(4-)
A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3E)-octenoyl-CoA; major species at pH 7.3.
3-[7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
3-[7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3r)-3-[(1s,4r,7s,12r,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3r)-3-[(1s,4r,7s,12r,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3r)-3-[(1s,4r,7s,12s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3r)-3-[(1s,4r,7s,12s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3s)-3-[(1s,4r,7s,12s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3s)-3-[(1s,4r,7s,12s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
3-{[(2s,3r,4r,5s,6r)-6-({[(2r,3s,4s,5r,6s)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
3-{[(2s,3r,4r,5s,6r)-6-({[(2r,3s,4s,5r,6s)-5-[(2-carboxyacetyl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
(3s)-3-[(1s,4r,7s,12r,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3s)-3-[(1s,4r,7s,12r,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
5-{[(2s,3r,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
5-{[(2s,3r,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
(3r)-3-[(1s,4r,7s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
(3r)-3-[(1s,4r,7s,14s,17s,20r,23s,31r)-7-tert-butyl-12,26,27-trichloro-2,15,18,31-tetrahydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-5,8,21-trioxo-6-oxa-3,9,10,16,19,22,24-heptaazapentacyclo[20.10.0.0⁹,¹⁴.0²³,³¹.0²⁵,³⁰]dotriaconta-2,15,18,25,27,29-hexaen-20-yl]-3-hydroxypropanoic acid
