(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153)

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CHEBI:140153 - (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA

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ChEBI ID	CHEBI:140153
ChEBI Name	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA
Stars
ASCII Name	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA
Definition	An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12R)-12-hydroxyoctadec-9-enoic (ricinoleic) acid.
Last Modified	14 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C39H68N7O18P3S
Net Charge	0
Average Mass	1047.993
Monoisotopic Mass	1047.35544
SMILES	CCCCCC[C@@H](O)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
InChI	InChI=1S/C39H68N7O18P3S/c1-4-5-6-13-16-27(47)17-14-11-9-7-8-10-12-15-18-30(49)68-22-21-41-29(48)19-20-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11,14,25-28,32-34,38,47,50-51H,4-10,12-13,15-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b14-11-/t27-,28-,32-,33-,34+,38-/m1/s1
InChIKey	BHVZCCKRRPYXCV-MGNVXPIMSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) has functional parent ricinoleic acid (CHEBI:28592)
	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) is a hydroxy fatty acyl-CoA (CHEBI:61902)
	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) is a unsaturated fatty acyl-CoA (CHEBI:51006)
	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153) is conjugate acid of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559)
Incoming Relation(s)
Incoming Relation(s)	(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4−) (CHEBI:139559) is conjugate base of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA (CHEBI:140153)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z,12R)-3-hydroxyoctadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
(9Z,12R)-12-hydroxyoctadec-9-enoyl-coenzyme A	ChEBI
ricinoleoyl-coenzyme A	ChEBI
ricinoleoyl-CoA	ChEBI

Manual Xrefs	Databases
CPD-15364	MetaCyc

Registry Numbers	Sources
Reaxys:11195620	Reaxys

Citations