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CHEBI:132011 - S-butyryl-4'-phosphopantetheine(2−)

ChEBI IDCHEBI:132011
ChEBI NameS-butyryl-4'-phosphopantetheine(2−)
Stars
ASCII NameS-butyryl-4'-phosphopantetheine(2-)
DefinitionAn S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-butyryl-4'-phosphopantetheine; major species at pH 7.3.
Last Modified7 May 2021
Submitterlaimo
DownloadsMolfile
FormulaC15H27N2O8PS
Net Charge-2
Average Mass426.428
Monoisotopic Mass426.12367
SMILESCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]
InChIInChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/p-2/t13-/m0/s1
InChIKeyPZIQDUSGQUZEBS-ZDUSSCGKSA-L
ChEBI Ontology
Outgoing Relation(s)
S-butyryl-4'-phosphopantetheine(2−) (CHEBI:132011) is a S-acyl-4'-phosphopantetheine(2−) (CHEBI:132023)
S-butyryl-4'-phosphopantetheine(2−) (CHEBI:132011) is conjugate base of S-butyryl-4'-phosphopantetheine (CHEBI:132309)
Incoming Relation(s)
S-butyryl-4'-phosphopantetheine (CHEBI:132309) is conjugate acid of S-butyryl-4'-phosphopantetheine(2−) (CHEBI:132011)
IUPAC Name 
N-[2-(butanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
Synonyms  Source
butanoyl-4'-phosphopantetheine(2−)SUBMITTER
butyryl-4'-phosphopantetheine(2−)ChEBI
S-butanoyl-4'-phosphopantetheine(2−)ChEBI
UniProt Name  Source
S-butanoyl-4'-phosphopantetheineUniProt
Citations