(R)-3-hydroxybehenoyl-CoA (CHEBI:76459)

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CHEBI:76459 - (R)-3-hydroxybehenoyl-CoA

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ChEBI ID	CHEBI:76459
ChEBI Name	(R)-3-hydroxybehenoyl-CoA
Stars
ASCII Name	(R)-3-hydroxybehenoyl-CoA
Definition	A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxybehenic acid.
Last Modified	31 March 2015
Submitter	Steve
Downloads	Molfile

Formula	C43H78N7O18P3S
Net Charge	0
Average Mass	1106.117
Monoisotopic Mass	1105.43369
SMILES	CCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=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/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31-,32-,36-,37-,38+,42-/m1/s1
InChIKey	VNJQSRVXTRJVAZ-ZUIQSSPPSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
	(R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	(R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is conjugate acid of (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375)
Incoming Relation(s)
Incoming Relation(s)	(R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is conjugate base of (R)-3-hydroxybehenoyl-CoA (CHEBI:76459)

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

Synonyms	Source
(R)-3-hydroxydocosanoyl-CoA	ChEBI
(R)-3-hydroxybehenoyl-coenzyme A	ChEBI
(R)-3-hydroxydocosanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
CPD-14276	MetaCyc