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

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ChEBI Name S-butyryl-4ʼ-phosphopantetheine(2−) ChEBI ID CHEBI:132011 ChEBI ASCII Name S-butyryl-4'-phosphopantetheine(2-) Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-butyryl-4ʼ-phosphopantetheine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H27N2O8PS Net Charge -2 Average Mass 426.424 Monoisotopic Mass 426.12367 InChI InChI=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 InChIKey PZIQDUSGQUZEBS-ZDUSSCGKSA-L SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCC ChEBI Ontology Outgoing S-butyryl-4ʼ-phosphopantetheine(2−) (CHEBI:132011) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023) S-butyryl-4ʼ-phosphopantetheine(2−) (CHEBI:132011) is conjugate base of S-butyryl-4ʼ-phosphopantetheine (CHEBI:132309) Incoming S-butyryl-4ʼ-phosphopantetheine (CHEBI:132309) is conjugate acid of S-butyryl-4ʼ-phosphopantetheine(2−) (CHEBI:132011) IUPAC Name N-[2-(butanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide Synonyms Sources butanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER butyryl-4ʼ-phosphopantetheine(2−) ChEBI S-butanoyl-4ʼ-phosphopantetheine UniProt S-butanoyl-4ʼ-phosphopantetheine(2−) ChEBI Citation Type Source 18799520 PubMed citation SUBMITTER Last Modified 07 May 2021