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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-hydroxypentanoyl-CoA(4-)
ChEBI ID CHEBI:231432
Definition A 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.
Stars This entity has been manually annotated by a third party.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C26H40N7O18P3S
Net Charge -4
Average Mass 863.620
Monoisotopic Mass 863.13853
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)/p-4/t14?,15-,19-,20-,21+,25-/m1/s1
InChIKey YYGYPCRWZMLSGK-XMWLYHNJSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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)
Synonym Source
3-hydroxypentanoyl-CoA UniProt
Manual Xref Database
CPD-15660 MetaCyc accession
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Last Modified
10 September 2024