CHEBI:132012 - S-hexanoyl-4ʼ-phosphopantetheine(2−)

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ChEBI Name S-hexanoyl-4ʼ-phosphopantetheine(2−) ChEBI ID CHEBI:132012 ChEBI ASCII Name S-hexanoyl-4'-phosphopantetheine(2-) Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-hexanoyl-4ʼ-phosphopantetheine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter laimo Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H31N2O8PS Net Charge -2 Average Mass 454.477 Monoisotopic Mass 454.15497 InChI InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/p-2/t15-/m0/s1 InChIKey KGMBPSVUBJAAEN-HNNXBMFYSA-L SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCC ChEBI Ontology Outgoing S-hexanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132012) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023) S-hexanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132012) is conjugate base of S-hexanoyl-4ʼ-phosphopantetheine (CHEBI:132311) Incoming S-hexanoyl-4ʼ-phosphopantetheine (CHEBI:132311) is conjugate acid of S-hexanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132012) IUPAC Name N-[2-(hexanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide Synonyms Sources caproyl-4ʼ-phosphopantetheine(2−) ChEBI hexanoyl-4ʼ-phosphopantetheine UniProt hexanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER S-caproyl-4ʼ-phosphopantetheine(2−) ChEBI Citation Last Modified 29 June 2016