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(9Z,12Z,15Z)-hexadecatrienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM10466

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₃₇H₅₆N₇O₁₇P₃S

charge

-4

mass

995.26882

reference

chebi:85914

InChIKey

JDKLSTJMXDRYAJ-PCRJDALTSA-J

InChI

InChI=1S/C37H60N7O17P3S/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/h4,6-7,9-10,24-26,30-32,36,47-48H,1,5,8,11-23H2,2-3H3,(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

C=CC/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:85914 chebi:85914	(9Z,12Z,15Z)-hexadecatrienoyl-CoA (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4-) (9Z,12Z)-hexadeca-9,12,15-trienoyl-coenzyme A(4-) (9Z,12Z,15)-hexadecatrienoyl-CoA (9Z,12Z,15)-hexadecatrienoyl-coenzyme A
kegg.compound:C21528 keggC:C21528	(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
CHEBI:86132 chebi:86132	(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA (9Z,12Z)-hexadeca-9,12,15-trienoyl-coenzyme A (9Z,12Z,15)-hexadecatrienoyl-CoA (9Z,12Z,15)-hexadecatrienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-hexadeca-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-10255 metacycM:CPD-10255	(9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA 16:3-delta9,12,15-CoA 9,12,15-cis-hexadecatrienoyl-CoA 9Z,12Z,15Z-hexadecatrienoyl-CoA
SLM:000485311 slm:000485311	(9Z,12Z,15Z)-hexadecatrienoyl-CoA
seed.compound:cpd22616 seedM:cpd22616	16:3-delta9,12,15-CoA (9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA 9,12,15-cis-hexadecatrienoyl-CoA 9Z,12Z,15Z-hexadecatrienoyl-CoA 9z,12z,15z-hexadecatrienoyl-CoA
keggC:M_C21528 seedM:M_cpd22616	secondary/obsolete/fantasy identifier