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(9Z)-octadecenoyl-CoA

PropertiesImage
MNX_IDMNXM1364155 Image of MNXM1364155
referencechebi:57387
formulaC39H64N7O17P3S
global charge-4
mol weight1027.962
InChIKeyXDUHQPOXLUAVEE-BPMMELMSSA-J
InChIInChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1
SMILESCCCCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 Image of MNXM1364155
SMILES (mnx)[C@@H:1]1([CH:38]2[C:39]3=[N:41]([N:43]=[N:40]2)[N:44]([OH:47])=[N:46][N:45]=[N:42]3)[CH2:2][C@@H:4]([CH2:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:50](=[O:49])[O:51][O:52][O:53][O:54][O:55][O:56][O:57]/[O:58]=[O:59]\[O:60][O:61][O:62][O:63][PH:64][PH:65][PH:66][SH:67])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@H:5]([CH2:33][C:36]([CH3:34])([CH3:35])=[CH2:37])[C@@H:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)269
in models (compartimentalized) 142
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5690558
reactomeM:R-ALL-5690558
CHEBI:57387
chebi:57387
XDUHQPOXLUAVEE-BPMMELMSSA-J 		(9Z)-octadecenoyl-CoA
(9Z)-octadec-9-enoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
cis-9-octadecenoyl-CoA(4-)
cis-9-octadecenoyl-coenzyme A(4-)
oleoyl-CoA(4-)
oleoyl-coenzyme A(4-)

SLM:000000419
slm:000000419
XDUHQPOXLUAVEE-BPMMELMSSA-J 		(9Z)-octadecenoyl-CoA

bigg.metabolite:ocde9ecoa
biggM:ocde9ecoa
XDUHQPOXLUAVEE-BPMMELMSSA-J 		9-Octadecenoyl Coenzyme A

vmhM:ocde9ecoa
vmhM:ocde9ecoa
vmhmetabolite:ocde9ecoa
vmhmetabolite:ocde9ecoa
XDUHQPOXLUAVEE-ZXQNDDKTSA-J 		9-octadecenoylcoa
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
hmdb:HMDB0062512
XDUHQPOXLUAVEE-HLIBWQMFSA-N 		9Z-octadecenoyl-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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
(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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic 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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
(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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid

bigg.metabolite:octdececoa
biggM:octdececoa
XDUHQPOXLUAVEE-HLIBWQMFSA-J 		Octadecenoyl Coenzyme A

bigg.metabolite:odecoa
biggM:odecoa
XDUHQPOXLUAVEE-BPMMELMSSA-J 		Octadecenoyl-CoA (n-C18:1CoA)

vmhM:odecoa
vmhM:odecoa
vmhmetabolite:odecoa
vmhmetabolite:odecoa
XDUHQPOXLUAVEE-BPMMELMSSA-J 		Octadecenoyl-CoA (n-C18:1CoA)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]

seed.compound:cpd15274
seedM:cpd15274
XDUHQPOXLUAVEE-BPMMELMSSA-J 		Octadecenoyl-CoA
Octadecenoyl-CoA (n-C18:1CoA)
odecoa

sabiork.compound:2065
sabiorkM:2065
XDUHQPOXLUAVEE-BPMMELMSSA-N 		Oleoyl-CoA
hmdb:HMDB0001322
XDUHQPOXLUAVEE-BPMMELMSSA-N 		Oleoyl-CoA
(9Z)-Octadec-9-enoyl-CoA
(9Z)-Octadec-9-enoyl-coenzyme A
(9Z)-Octadecenoyl-CoA
9-Octadecenoyl-CoA
9-Octadecenoyl-coenzyme A
Coenzyme A cis-9-octadecenoate
Coenzyme A oleate
Oleoyl coenzyme A
Oleoyl-coenzyme A
Oleyl coenzyme A
Oleyl-CoA
Oleyl-coenzyme A
S-Oleoyl-CoA
S-Oleoylcoenzyme A
S-[(9Z)-Octadec-9-enoyl]-CoA
S-[(9Z)-Octadec-9-enoyl]-coenzyme A
cis-9-Octadecenoyl-CoA
cis-9-Octadecenoyl-coenzyme A
oleoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

kegg.compound:C00510
keggC:C00510
XDUHQPOXLUAVEE-BPMMELMSSA-N 		Oleoyl-CoA
(9Z)-Octadecenoyl-CoA

seed.compound:cpd00399
seedM:cpd00399
XDUHQPOXLUAVEE-BPMMELMSSA-J 		Oleoyl-CoA
(9Z)-Octadecenoyl-CoA
oloeyl-CoA (cis)

seed.compound:cpd16638
seedM:cpd16638
XDUHQPOXLUAVEE-BPMMELMSSA-J 		cis-octadec-9-enoyl-coa
(9Z)-octadec-9-enoyl-CoA
18:1 cis-9
18:1(n-9)
C18:1(C9)-COA
cis-octadec-9-enoyl-CoA
oleoyl-CoA
oleoyl-CoA (cis)

CHEBI:15534
chebi:15534
XDUHQPOXLUAVEE-BPMMELMSSA-N 		oleoyl-CoA
(9Z)-octadec-9-enoyl-CoA
(9Z)-octadec-9-enoyl-coenzyme A
(9Z)-octadecenoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
S-[(9Z)-octadec-9-enoyl]-CoA
S-[(9Z)-octadec-9-enoyl]-coenzyme A
S-oleoyl-CoA
S-oleoylcoenzyme A
cis-9-octadecenoyl-CoA
cis-9-octadecenoyl-coenzyme A
cis-Delta(9)-octadecenoyl-CoA
cis-Delta(9)-octadecenoyl-coenzyme A
oleoyl-coenzyme A

lipidmaps:LMFA07050356
lipidmapsM:LMFA07050356
XDUHQPOXLUAVEE-BPMMELMSSA-N 		oleoyl-CoA
(9Z)-octadec-9-enoyl-CoA
(9Z)-octadec-9-enoyl-coenzyme A
9Z-octadecenoyl-CoA
CoA 18:1
Oleoyl-coenzyme A
S-Oleoylcoenzyme A
S-[(9Z)-octadec-9-enoyl]-CoA
S-[(9Z)-octadec-9-enoyl]-coenzyme A
S-oleoyl-CoA
cis-9-octadecenoyl-CoA
cis-9-octadecenoyl-coenzyme A
cis-Delta(9)-octadecenoyl-CoA
cis-Delta(9)-octadecenoyl-coenzyme A

metacyc.compound:OLEOYL-COA
metacycM:OLEOYL-COA
XDUHQPOXLUAVEE-BPMMELMSSA-J 		oleoyl-CoA
(9Z)-octadec-9-enoyl-CoA
18:1 cis-9
18:1(n-9)
OleCoA
cis-octadec-9-enoyl-CoA
oloeyl-CoA (cis)

hmdb:HMDB0006531
hmdb:HMDB01322
hmdb:HMDB06531
hmdb:HMDB62512
chebi:14685
chebi:25668
chebi:7743
biggM:M_ocde9ecoa
biggM:M_octdececoa
biggM:M_odecoa
keggC:M_C00510
seedM:M_cpd00399
seedM:M_cpd15274
seedM:M_cpd16638
vmhM:M_ocde9ecoa
vmhM:M_odecoa 		secondary/obsolete/fantasy identifier