Feedback

(9Z,12Z)-hexadecadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM10467

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	2

formula

C₃₇H₅₈N₇O₁₇P₃S

charge

-4

mass

997.28447

reference

chebi:76552

InChIKey

CQXSJFXWARGOBE-PCRJDALTSA-J

InChI

InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h6-7,9-10,24-26,30-32,36,47-48H,4-5,8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1

SMILES

CCC/C=C\C/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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76552 chebi:76552	(9Z,12Z)-hexadecadienoyl-CoA (9Z,12Z)-hexadecadienoyl-CoA(4-) (9Z,12Z)-hexadecadienoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-hexadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} C16:2(omega-4)-CoA(4-)
kegg.compound:C21000 keggC:C21000	(9Z,12Z)-Hexadeca-9,12-dienoyl-CoA
metacyc.compound:CPD-10254 metacycM:CPD-10254	(9Z,12Z)-hexadeca-9,12-dienoyl-CoA 16:2-delta9,12-CoA 9,12-cis-hexadecadienoyl-CoA 9z,12z-hexadecadienoyl-CoA
SLM:000389160 slm:000389160	(9Z,12Z)-hexadecadienoyl-CoA
CHEBI:76889 chebi:76889	(9Z,12Z)-hexadecadienoyl-CoA (9Z,12Z)-hexadecadienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-hexadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 9,12-cis-hexadecadienoyl-CoA
seed.compound:cpd22615 seedM:cpd22615	16:2-delta9,12-CoA (9Z,12Z)-hexadeca-9,12-dienoyl-CoA 9,12-cis-hexadecadienoyl-CoA 9z,12z-hexadecadienoyl-CoA
keggC:M_C21000 seedM:M_cpd22615	secondary/obsolete/fantasy identifier