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(9Z,12Z)-18-hydroxyoctadecadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146247

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₃₉H₆₂N₇O₁₈P₃S

charge

-4

mass

1041.31068

reference

chebi:84904

InChIKey

HJEGYLSHIKPENR-DAXVLCLXSA-J

InChI

InChI=1S/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-,9-7-/t28-,32-,33-,34+,38-/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\C/C=C\CCCCCO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84904 chebi:84904	(9Z,12Z)-18-hydroxyoctadecadienoyl-CoA (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-) (9Z,12Z)-18-hydroxyoctadecadienoyl-coenzyme A(4-)
CHEBI:85508 chebi:85508	(9Z,12Z)-18-hydroxyoctadecadienoyl-CoA (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoyl-CoA (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoyl-coenzyme A (9Z,12Z)-18-hydroxyoctadecadienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z,12Z)-18-hydroxyoctadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
kegg.compound:C21006 keggC:C21006	18-Hydroxylinoleoyl-CoA
metacyc.compound:CPD-17371 metacycM:CPD-17371 seed.compound:cpd31461 seedM:cpd31461	18-hydroxylinoleoyl-CoA omega-hydroxylinoleoyl-CoA
keggC:M_C21006 seedM:M_cpd31461	secondary/obsolete/fantasy identifier