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CHEBI:139268 - (S)-3-hydroxypentanoyl-CoA

ChEBI IDCHEBI:139268
ChEBI Name(S)-3-hydroxypentanoyl-CoA
Stars
ASCII Name(S)-3-hydroxypentanoyl-CoA
DefinitionA 3-hydroxy fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxypentanoic acid.
Last Modified8 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H44N7O18P3S
Net Charge0
Average Mass867.658
Monoisotopic Mass867.16764
SMILESCC[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
InChIInChI=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+/m0/s1
InChIKeyYYGYPCRWZMLSGK-VDGSKMPFSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) has functional parent (S)-3-hydroxypentanoic acid (CHEBI:139270)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is a 3-hydroxypentanoyl-CoA(4-) (CHEBI:231432)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is a short-chain fatty acyl-CoA (CHEBI:61905)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is conjugate acid of (S)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138607)
Incoming Relation(s)
(S)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138607) is conjugate base of (S)-3-hydroxypentanoyl-CoA (CHEBI:139268)
IUPAC Names 
S-[(3S)-3-hydroxypentanoyl]-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxypentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(S)-3-hydroxyvaleryl-coenzyme AChEBI
(S)-3-hydroxypentanoyl-coenzyme AChEBI
(3S)-hydroxyvaleryl-coenzyme AChEBI
(3S)-hydroxyvaleryl-CoAChEBI
(3S)-hydroxypentanoyl-CoAChEBI
(S)-3-hydroxyvaleryl-CoAChEBI