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(9Z)-octadecenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1105956Image of MNXM1105956
#reac
in my sandbox 0
in MNXref (generic)274
in models (compartimentalized) 154
formulaC39H64N7O17P3S
charge-4
mass1027.952
referencechebi:57387
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
SMILES[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:30](=[O:48])[S:67][CH2:23][CH2:22][N:41]=[C:29]([CH2:20][CH2:21][N:42]=[C:37]([C@@H:34]([C:39]([CH3:2])([CH3:3])[CH2:25][O:60][P:66]([OH:57])(=[O:58])[O:63][P:65]([OH:55])(=[O:56])[O:59][CH2:24][C@@H:28]1[C@@H:33]([O:62][P:64]([OH:52])([OH:53])=[O:54])[C@@H:32]([OH:49])[C@H:38]([n:46]2[cH:27][n:45][c:31]3[c:35]([NH2:40])[n:43][cH:26][n:44][c:36]32)[O:61]1)[OH:50])[OH:51])[OH:47]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57387
chebi:57387 		(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 		(9Z)-octadecenoyl-CoA
bigg.metabolite:ocde9ecoa
biggM:ocde9ecoa 		9-Octadecenoyl Coenzyme A
bigg.metabolite:M00127
biggM:M00127 		9E-Octadecenoic Acid
hmdb:HMDB0062512 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 		Octadecenoyl Coenzyme A
bigg.metabolite:odecoa
biggM:odecoa 		Octadecenoyl-CoA (n-C18:1CoA)
vmhM:odecoa
vmhmetabolite:odecoa 		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 		Octadecenoyl-CoA
Octadecenoyl-CoA (n-C18:1CoA)
odecoa
sabiork.compound:2065
sabiorkM:2065 		Oleoyl-CoA
hmdb:HMDB0001322 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 		Oleoyl-CoA
(9Z)-Octadecenoyl-CoA
seed.compound:cpd00399
seedM:cpd00399 		Oleoyl-CoA
(9Z)-Octadecenoyl-CoA
oloeyl-CoA (cis)
seed.compound:cpd16638
seedM:cpd16638 		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 		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 		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 		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_M00127
biggM:M_ocde9ecoa
biggM:M_octdececoa
biggM:M_odecoa
keggC:M_C00510
seedM:M_cpd00399
seedM:M_cpd15274
seedM:M_cpd16638 		secondary/obsolete/fantasy identifier