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CHEBI:138607 - (S)-3-hydroxypentanoyl-CoA(4−)

ChEBI IDCHEBI:138607
ChEBI Name(S)-3-hydroxypentanoyl-CoA(4−)
Stars
ASCII Name(S)-3-hydroxypentanoyl-CoA(4-)
DefinitionA short-chain (3S)-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxypentanoyl-CoA; major species at pH 7.3.
Last Modified21 August 2020
Submitternhn
DownloadsMolfile
FormulaC26H40N7O18P3S
Net Charge-4
Average Mass863.626
Monoisotopic Mass863.13853
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)/p-4/t14-,15+,19+,20+,21-,25+/m0/s1
InChIKeyYYGYPCRWZMLSGK-VDGSKMPFSA-J
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138607) is a short-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:136760)
(S)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138607) is conjugate base of (S)-3-hydroxypentanoyl-CoA (CHEBI:139268)
Incoming Relation(s)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is conjugate acid of (S)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138607)
Synonyms  Source
(3S)-hydroxyvaleryl-CoA(4−)SUBMITTER
(S)-3-hydroxyvaleryl-CoA(4−)ChEBI
UniProt Name  Source
(3S)-3-hydroxypentanoyl-CoAUniProt
Citations