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(9Z)-18-hydroxyoctadecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145831

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₃₉H₆₄N₇O₁₈P₃S

charge

-4

mass

1043.32633

reference

chebi:86044

InChIKey

MQACSUXWIYYZAK-UTNXWDCOSA-J

InChI

InChI=1S/C39H68N7O18P3S/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/h3-4,26-28,32-34,38,47,50-51H,5-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-/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\CCCCCCCCO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:86044 chebi:86044	(9Z)-18-hydroxyoctadecenoyl-CoA (9Z)-18-hydroxyoctadec-9-enoyl-CoA(4-) (9Z)-18-hydroxyoctadec-9-enoyl-coenzyme A(4-) (9Z)-18-hydroxyoctadecenoyl-coenzyme A(4-) 18-hydroxyoleoyl-CoA(4-) 18-hydroxyoleoyl-coenzyme A(4-)
seed.compound:cpd35917 seedM:cpd35917	(9Z)-18-hydroxyoctadec-9-enoyl-CoA 18-hydroxyoleoyl-CoA omega-hydroxyoleoyl-CoA
kegg.compound:C21005 keggC:C21005	18-Hydroxyoleoyl-CoA
CHEBI:86053 chebi:86053	18-hydroxyoleoyl-CoA (9Z)-18-hydroxyoctadec-9-enoyl-CoA (9Z)-18-hydroxyoctadec-9-enoyl-coenzyme A (9Z)-18-hydroxyoctadecenoyl-CoA (9Z)-18-hydroxyoctadecenoyl-coenzyme A 18-hydroxyoleoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z)-18-hydroxyoctadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-17370 metacycM:CPD-17370	18-hydroxyoleoyl-CoA (9Z)-18-hydroxyoctadec-9-enoyl-CoA omega-hydroxyoleoyl-CoA
keggC:M_C21005 seedM:M_cpd35917	secondary/obsolete/fantasy identifier