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CHEBI:747829 - (4S)-phosphopentanoyl-CoA(6−)

Default Structure
ChEBI IDCHEBI:747829
ChEBI Name(4S)-phosphopentanoyl-CoA(6−)
Stars
ASCII Name(4S)-phosphopentanoyl-CoA(6-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate functions of (4S)-phosphopentanoyl-CoA; major species at pH 7.3.
Last Modified23 June 2026
Submitternhn
DownloadsMolfile
FormulaC26H39N7O21P4S
Net Charge-6
Average Mass941.589
Monoisotopic Mass941.09031
SMILESC[C@@H](CCC(=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-])OP(=O)([O-])[O-]
InChIInChI=1S/C26H45N7O21P4S/c1-14(52-55(39,40)41)4-5-17(35)59-9-8-28-16(34)6-7-29-24(38)21(37)26(2,3)11-50-58(47,48)54-57(45,46)49-10-15-20(53-56(42,43)44)19(36)25(51-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,4-11H2,1-3H3,(H,28,34)(H,29,38)(H,45,46)(H,47,48)(H2,27,30,31)(H2,39,40,41)(H2,42,43,44)/p-6/t14-,15+,19+,20+,21-,25+/m0/s1
InChIKeyPEJFDCWHHVWOCK-VDGSKMPFSA-H
ChEBI Ontology
Outgoing Relation(s)
(4S)-phosphopentanoyl-CoA(6−) (CHEBI:747829) is a acyl-CoA oxoanion (CHEBI:58946)
UniProt Name  Source
(4S)-4-phosphopentanoyl-CoAUniProt
Citations