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(9Z)-hexadecenoyl-CoA

PropertiesImage
MNX_IDMNXM1364251 Image of MNXM1364251
referencechebi:61540
formulaC37H60N7O17P3S
global charge-4
mol weight999.908
InChIKeyQBYOCCWNZAOZTL-MDMKAECGSA-J
InChIInChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b10-9-/t26-,30-,31-,32+,36-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1364251
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:28](=[O:46])[S:65][CH2:21][CH2:20][N:39]=[C:27]([CH2:18][CH2:19][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:23][O:58][P:64]([OH:55])(=[O:56])[O:61][P:63]([OH:53])(=[O:54])[O:57][CH2:22][C@@H:26]1[C@@H:31]([O:60][P:62]([OH:50])([OH:51])=[O:52])[C@@H:30]([OH:47])[C@H:36]([N:44]2[CH:25]=[N:43][C:29]3=[C:33]([NH2:38])[N:41]=[CH:24][N:42]=[C:34]32)[O:59]1)[OH:48])[OH:49])[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)122
in models (compartimentalized) 50
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61540
chebi:61540
QBYOCCWNZAOZTL-MDMKAECGSA-J 		(9Z)-hexadecenoyl-CoA
(Z)-hexadec-9-enoyl-CoA tetraanion
(Z)-hexadec-9-enoyl-CoA(4-)
(Z)-hexadec-9-enoyl-coenzyme A tetraanion
(Z)-hexadec-9-enoyl-coenzyme A(4-)
16:1-delta9-CoA(4-)
9Z-hexadecenoyl-CoA(4-)
cis-9-hexadecenoyl-CoA(4-)
palmitoleoyl-CoA(4-)
palmitoleoyl-coenzyme A(4-)
palmitoleyl-CoA tetraanion

SLM:000389159
slm:000389159
QBYOCCWNZAOZTL-MDMKAECGSA-J 		(9Z)-hexadecenoyl-CoA

seed.compound:cpd22622
seedM:cpd22622
QBYOCCWNZAOZTL-MDMKAECGSA-J 		16:1-delta9-CoA
(9Z)-hexadec-9-enoyl-CoA
9z-hexadecenoyl-CoA
cis-9-hexadecenoyl-CoA
palmitoleoyl coenzyme A
palmitoleoyl-CoA
palmitoleyl coenzyme A
palmitoleyl-CoA
hmdb:HMDB0062516
QBYOCCWNZAOZTL-MDMKAECGSA-J 		9Z-hexadecenoyl-CoA
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidate
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(9Z)-hexadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidate
(2R)-4-({[({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(9Z)-hexadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
(2R)-4-[({[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-[2-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid

bigg.metabolite:hdcoa
biggM:hdcoa
QBYOCCWNZAOZTL-MDMKAECGSA-J 		Hexadecenoyl-CoA (n-C16:1CoA)

vmhM:hdcoa
vmhmetabolite:hdcoa
QBYOCCWNZAOZTL-MDMKAECGSA-J 		Hexadecenoyl-CoA (n-C16:1CoA)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)

sabiork.compound:20031
sabiorkM:20031
QBYOCCWNZAOZTL-MDMKAECGSA-N 		Palmitoleoyl-CoA

kegg.compound:C21072
keggC:C21072
QBYOCCWNZAOZTL-MDMKAECGSA-N 		Palmitoleoyl-CoA
(9Z)-Hexadec-9-enoyl-CoA
(9Z)-Hexadecenoyl-CoA
9Z-Hexadecenoyl-CoA
hmdb:HMDB0006532
QBYOCCWNZAOZTL-MDMKAECGSA-N 		Palmitoleyl-CoA
(Z)-9-Hexadecenoyl-CoA
CoA(16:1(9Z))
Palmitoleoyl CoA
Palmitoleoyl coenzyme A
Palmitoleoyl-CoA
Palmitoleoyl-coenzyme A
Palmitoleyl CoA
Palmitoleyl coenzyme A
Palmitoleyl-coenzyme A
cis-9-Hexadecenoyl CoA
cis-9-Hexadecenoyl coenzyme A
cis-9-Hexadecenoyl-CoA
cis-9-Hexadecenoyl-coenzyme A
palmitoleoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(9Z)-hexadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

metacyc.compound:CPD-10269
metacycM:CPD-10269
QBYOCCWNZAOZTL-MDMKAECGSA-J 		palmitoleoyl-CoA
(9Z)-hexadec-9-enoyl-CoA
16:1-delta9-CoA
9z-hexadecenoyl-CoA
cis-9-hexadecenoyl-CoA
palmitoleoyl coenzyme A

reactome:R-ALL-3238096
reactomeM:R-ALL-3238096
CHEBI:53152
chebi:53152
QBYOCCWNZAOZTL-MDMKAECGSA-N 		palmitoleoyl-CoA
(Z)-9-hexadecenoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-hexadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
cis-9-hexadecenoyl-CoA
cis-9-hexadecenoyl-coenzyme A
palmitoleoyl-coenzyme A
palmitoleyl-CoA
palmitoleyl-coenzyme A

lipidmaps:LMFA07050359
lipidmapsM:LMFA07050359
QBYOCCWNZAOZTL-MDMKAECGSA-N 		palmitoleoyl-CoA
(Z)-9-hexadecenoyl-CoA
9Z-hexadecenoyl-CoA
CoA 16:1
cis-9-hexadecenoyl-CoA
cis-9-hexadecenoyl-coenzyme A
palmitoleoyl-coenzyme A
palmitoleyl-CoA
palmitoleyl-coenzyme A

vmhM:CE0852
vmhmetabolite:CE0852
vmhM:HC10852
vmhmetabolite:HC10852
QBYOCCWNZAOZTL-MDMKAECGSA-J 		palmitoleyl-CoA(4-)
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

hmdb:HMDB06532
hmdb:HMDB62516
biggM:M_hdcoa
keggC:M_C21072
seedM:M_cpd22622
vmhM:M_CE0852
vmhM:M_HC10852
vmhM:M_hdcoa 		secondary/obsolete/fantasy identifier