(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465)

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CHEBI:76465 - (R)-3-hydroxyhexacosanoyl-CoA

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ChEBI ID	CHEBI:76465
ChEBI Name	(R)-3-hydroxyhexacosanoyl-CoA
Stars
ASCII Name	(R)-3-hydroxyhexacosanoyl-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-hydroxyhexacosanoic acid [(R)-3-hydroxycerotic acid].
Last Modified	5 February 2019
Submitter	Steve
Downloads	Molfile

Formula	C47H86N7O18P3S
Net Charge	0
Average Mass	1162.225
Monoisotopic Mass	1161.49629
SMILES	CCCCCCCCCCCCCCCCCCCCCCC[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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35-,36-,40-,41-,42+,46-/m1/s1
InChIKey	GBMJOTOUUWGTIA-CSLACTSSSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) has functional parent hexacosanoic acid (CHEBI:31009)
	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) is a very long-chain fatty acyl-CoA (CHEBI:61910)
	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) is conjugate acid of (R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378)
Incoming Relation(s)
Incoming Relation(s)	(R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378) is conjugate base of (R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465)

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

Synonyms	Source
(R)-3-hydroxycerotoyl-coenzyme A	ChEBI
(R)-3-hydroxyhexacosanoyl-CoA	ChEBI
(R)-3-hydroxyhexacosanoyl-coenzyme A	ChEBI
(R)-3-hydroxycerotoyl-CoA	ChEBI

Manual Xrefs	Databases
CPD-14278	MetaCyc