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(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA

PropertiesImage
MNX_IDMNXM1103967 Image of MNXM1103967
referencechebi:71489
formulaC39H58N7O17P3S
global charge-4
mol weight1021.914
InChIKeyDDHCSALWDPRVCN-USWKVXSKSA-J
InChIInChI=1S/C39H62N7O17P3S/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/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C39H62N7O17P3S/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/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1 Image of MNXM1103967
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH: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) 28
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71489
chebi:71489
DDHCSALWDPRVCN-USWKVXSKSA-J 		(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA(4-)
(6Z,9Z,12Z,15Z)-octadecatetraenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

kegg.compound:C16163
keggC:C16163
DDHCSALWDPRVCN-USWKVXSKSA-N 		(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA
Stearidonoyl-CoA

SLM:000000494
slm:000000494
DDHCSALWDPRVCN-USWKVXSKSA-J 		(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA

reactome:R-ALL-2046052
reactomeM:R-ALL-2046052
CHEBI:63545
chebi:63545
DDHCSALWDPRVCN-USWKVXSKSA-N 		(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
18:4(n-3)
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,151-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
6Z,9Z,12Z,15Z-Octadecatetraenoyl-CoA
Stearidonoyl-CoA
all-cis-6,9,12,15-octadecatetraenoyl-CoA
hmdb:HMDB0006519
DDHCSALWDPRVCN-USWKVXSKSA-J 		Stearidonoyl CoA
(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA
(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-coenzyme A
Stearidonoyl coenzyme A
Stearidonoyl-CoA
Stearidonoyl-coenzyme A
Stearidonyl coenzyme A
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd14884
seedM:cpd14884
DDHCSALWDPRVCN-USWKVXSKSA-J 		Stearidonoyl-CoA
(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA
stearidonoyl-CoA

lipidmaps:LMFA07050123
lipidmapsM:LMFA07050123
DDHCSALWDPRVCN-USWKVXSKSA-N 		Stearidonoyl-CoA
18:4(n-3)
6Z,9Z,12Z,15Z-Octadecatetraenoyl-CoA
6Z,9Z,12Z,15Z-octadecatetraenoyl-CoA
CoA 18:4
all-cis-6,9,12,15-octadecatetraenoyl-CoA

bigg.metabolite:strdnccoa
biggM:strdnccoa
DDHCSALWDPRVCN-USWKVXSKSA-J 		Stearidonyl coenzyme A

metacyc.compound:CPD-14392
metacycM:CPD-14392
DDHCSALWDPRVCN-USWKVXSKSA-J 		stearidonoyl-CoA
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA

vmhM:CE4815
vmhmetabolite:CE4815
DDHCSALWDPRVCN-USWKVXSKSA-J 		stearidonoyl-CoA
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

vmhM:strdnccoa
vmhmetabolite:strdnccoa
DDHCSALWDPRVCN-USWKVXSKSA-J 		stearidonyl 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-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoylsulfanyl]ethyl}carbamoyl)et

hmdb:HMDB06519
biggM:M_strdnccoa
keggC:M_C16163
seedM:M_cpd14884
vmhM:M_CE4815
vmhM:M_strdnccoa 		secondary/obsolete/fantasy identifier