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CHEBI:58555 - S-acetylphosphopantotheine(2−)

ChEBI IDCHEBI:58555
ChEBI NameS-acetylphosphopantotheine(2−)
Stars
ASCII NameS-acetylphosphopantotheine(2-)
DefinitionDianion of S-acetylphosphopantotheine.
Last Modified3 February 2016
DownloadsMolfile
FormulaC13H23N2O8PS
Net Charge-2
Average Mass398.374
Monoisotopic Mass398.09237
SMILESCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])[O-]
InChIInChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/p-2
InChIKeyAJFWMDFTVVFMHY-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
S-acetylphosphopantotheine(2−) (CHEBI:58555) is a organophosphate oxoanion (CHEBI:58945)
S-acetylphosphopantotheine(2−) (CHEBI:58555) is conjugate base of S-acetylphosphopantotheine (CHEBI:28228)
Incoming Relation(s)
S-acetylphosphopantotheine (CHEBI:28228) is conjugate acid of S-acetylphosphopantotheine(2−) (CHEBI:58555)
IUPAC Name 
N-[2-(acetylsulfanyl)ethyl]-N3-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
UniProt Name  Source
S-acetylphosphopantotheineUniProt