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

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103967

	#reac
in my sandbox	0
in MNXref (generic)	32
in models (compartimentalized)	45

formula

C₃₉H₅₈N₇O₁₇P₃S

charge

-4

mass

1021.28447

reference

chebi:71489

InChIKey

DDHCSALWDPRVCN-USWKVXSKSA-J

InChI

InChI=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

SMILES

CC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71489 chebi:71489	(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	(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA Stearidonoyl-CoA
SLM:000000494 slm:000000494	(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA
reactome:R-ALL-2046052 reactomeM:R-ALL-2046052 CHEBI:63545 chebi:63545	(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
seed.compound:cpd14884 seedM:cpd14884	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	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	Stearidonyl coenzyme A
metacyc.compound:CPD-14392 metacycM:CPD-14392	stearidonoyl-CoA (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA
biggM:M_strdnccoa keggC:M_C16163 seedM:M_cpd14884	secondary/obsolete/fantasy identifier