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CHEBI:231432 - 3-hydroxypentanoyl-CoA(4-)

ChEBI IDCHEBI:231432
ChEBI Name3-hydroxypentanoyl-CoA(4-)
Stars
DefinitionA 3-hydroxy fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxypentanoyl-CoA; major species at pH 7.3.
Last Modified10 September 2024
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC26H40N7O18P3S
Net Charge-4
Average Mass863.626
Monoisotopic Mass863.13853
SMILESCCC(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-/m1/s1
InChIKeyYYGYPCRWZMLSGK-XMWLYHNJSA-J
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypentanoyl-CoA(4-) (CHEBI:231432) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxypentanoyl-CoA(4-) (CHEBI:231432) is a short-chain fatty acyl-CoA (CHEBI:61905)
Incoming Relation(s)
(R)-3-hydroxypentanoyl-CoA(4−) (CHEBI:138587) is a 3-hydroxypentanoyl-CoA(4-) (CHEBI:231432)
(S)-3-hydroxypentanoyl-CoA (CHEBI:139268) is a 3-hydroxypentanoyl-CoA(4-) (CHEBI:231432)
UniProt Name  Source
3-hydroxypentanoyl-CoAUniProt
Manual XrefsDatabases
CPD-15660MetaCyc