CHEBI:156266 - S-acetyl-4'-phosphopantetheine(2−)

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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 S-acetyl-4'-phosphopantetheine(2−)
ChEBI ID CHEBI:156266
ChEBI ASCII Name S-acetyl-4'-phosphopantetheine(2-)
Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-acetyl-4'-phosphopantetheine; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C13H23N2O8PS
Net Charge -2
Average Mass 398.370
Monoisotopic Mass 398.09237
InChI InChI=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/t11-/m0/s1
InChIKey AJFWMDFTVVFMHY-NSHDSACASA-L
SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)C
ChEBI Ontology
Outgoing S-acetyl-4'-phosphopantetheine(2−) (CHEBI:156266) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023)
Synonym Source
S-acetyl-4'-phosphopantetheine UniProt
Manual Xref Database
S-ACETYLPHOSPHOPANTETHEINE MetaCyc accession
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