(R)-3-hydroxypentanoyl-CoA (CHEBI:139236)

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CHEBI:139236 - (R)-3-hydroxypentanoyl-CoA

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ChEBI ID	CHEBI:139236
ChEBI Name	(R)-3-hydroxypentanoyl-CoA
Stars
ASCII Name	(R)-3-hydroxypentanoyl-CoA
Definition	A 3-hydroxy fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxypentanoic acid.
Last Modified	6 December 2017
Submitter	Steve
Downloads	Molfile

Formula	C26H44N7O18P3S
Net Charge	0
Average Mass	867.658
Monoisotopic Mass	867.16764
SMILES	CC[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/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,15-,19-,20-,21+,25-/m1/s1
InChIKey	YYGYPCRWZMLSGK-MXYRDGFCSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(R)-3-hydroxypentanoyl-CoA (CHEBI:139236) has functional parent (R)-3-hydroxypentanoic acid (CHEBI:139239)
	(R)-3-hydroxypentanoyl-CoA (CHEBI:139236) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(R)-3-hydroxypentanoyl-CoA (CHEBI:139236) is a short-chain fatty acyl-CoA (CHEBI:61905)
	(R)-3-hydroxypentanoyl-CoA (CHEBI:139236) is conjugate acid of (R)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138587)
Incoming Relation(s)
Incoming Relation(s)	(R)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138587) is conjugate base of (R)-3-hydroxypentanoyl-CoA (CHEBI:139236)

IUPAC Names
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxypentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
S-[(3R)-3-hydroxypentanoyl]-coenzyme A

Synonyms	Source
(3R)-hydroxypentanoyl-CoA	ChEBI
(3R)-hydroxypentanoyl-coenzyme A	ChEBI
(3R)-hydroxyvaleryl-CoA	ChEBI
(3R)-hydroxyvaleryl-coenzyme A	ChEBI
(R)-3-hydroxypentanoyl-coenzyme A	ChEBI
(R)-3-hydroxyvaleryl-CoA	ChEBI

Manual Xrefs	Databases
CPD-13533	MetaCyc

Registry Numbers	Sources
Reaxys:29418570	Reaxys