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(11Z)-octadecenoyl-CoA

MNXM145583 is deprecated and here replaced by MNXM728520
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728520 Image of MNXM728520
referencechebi:75121
formulaC39H64N7O17P3S
global charge-4
mol weight1027.962
InChIKeyHEJOXXLSCAQQGQ-SAIINBSPSA-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/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=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/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/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9-/t28-,32-,33-,34+,38-/m1/s1 Image of MNXM728520
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][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]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)35
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75121
chebi:75121
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		(11Z)-octadecenoyl-CoA
(11Z)-octadecenoyl-CoA(4-)
(11Z)-octadecenoyl-coenzyme A(4-)
11cis-octadecenoyl-CoA(4-)
11cis-octadecenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-octadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
C18:1(omega-7)-CoA(4-)

SLM:000000676
slm:000000676
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		(11Z)-octadecenoyl-CoA

CHEBI:75354
chebi:75354
HEJOXXLSCAQQGQ-SAIINBSPSA-N 		(11Z)-octadecenoyl-CoA
(11Z)-octadecenoyl-coenzyme A
11cis-octadecenoyl-CoA
11cis-octadecenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-octadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
cis-vaccenoyl CoA
cis-vaccenoyl coenzyme A

seed.compound:cpd30415
seedM:cpd30415
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		(11Z)-octadecenoyl-coa

seed.compound:cpd35865
seedM:cpd35865
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		(Z)-11-octadecenoic acyl-CoA
(Z)-octadec-11-enoyl CoA
cis-11-octadecenoic acyl-CoA
cis-octadec-11-enoic acyl-CoA
cis-vaccenoyl-CoA

bigg.metabolite:octd11ecoa
biggM:octd11ecoa
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		11-Octadecenoyl Coenzyme A

vmhM:octd11ecoa
vmhmetabolite:octd11ecoa
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		11-octadecenoylcoa
hmdb:HMDB0006521
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		cis-Vaccenoyl CoA
11-Octadecenoyl CoA
11-Octadecenoyl coenzyme A
R-11-Octadecenoate
R-11-Octadecenoate CoA
R-11-Octadecenoate coenzyme A
R-11-Octadecenoic acid
R-11-Octadecenoyl CoA
R-11-Octadecenoyl coenzyme A
Vaccenoyl CoA
Vaccenoyl coenzyme A
Vaccenoyl-CoA
Vaccenoyl-coenzyme
Vaccenoyl-coenzyme A
Vaccenyl coenzyme A
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(11E)-octadec-11-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
cis-Vaccenoyl coenzyme A
cis-Vaccenoyl-CoA
cis-Vaccenoyl-coenzyme
cis-Vaccenoyl-coenzyme A
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(11E)-octadec-11-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

kegg.compound:C21945
keggC:C21945
HEJOXXLSCAQQGQ-SAIINBSPSA-N 		cis-Vaccenoyl-CoA
(11Z)-Octadecenoyl-CoA

lipidmaps:LMFA07050003
lipidmapsM:LMFA07050003
HEJOXXLSCAQQGQ-SAIINBSPSA-N 		cis-vaccenoyl CoA
CoA 18:1
R-(11Z-octadecenoyl) CoA

metacyc.compound:CPD-18346
metacycM:CPD-18346
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		cis-vaccenoyl-CoA
(Z)-11-octadecenoic acyl-CoA
(Z)-octadec-11-enoyl CoA
cis-11-octadecenoic acyl-CoA
cis-octadec-11-enoic acyl-CoA

vmhM:octdececoa
vmhmetabolite:octdececoa
HEJOXXLSCAQQGQ-SAIINBSPSA-J 		octadecenoylcoa

hmdb:HMDB06521
biggM:M_octd11ecoa
keggC:M_C21945
seedM:M_cpd30415
seedM:M_cpd35865
vmhM:M_octd11ecoa
vmhM:M_octdececoa 		secondary/obsolete/fantasy identifier