CHEBI:132013 - S-octanoyl-4ʼ-phosphopantetheine(2−)

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ChEBI Name S-octanoyl-4ʼ-phosphopantetheine(2−) ChEBI ID CHEBI:132013 ChEBI ASCII Name S-octanoyl-4'-phosphopantetheine(2-) Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-octanoyl-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 C19H35N2O8PS Net Charge -2 Average Mass 482.530 Monoisotopic Mass 482.18627 InChI InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/p-2/t17-/m0/s1 InChIKey JIQRMRIKUIPMRV-KRWDZBQOSA-L SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC ChEBI Ontology Outgoing S-octanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132013) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023) S-octanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132013) is conjugate base of S-octanoyl-4ʼ-phosphopantetheine (CHEBI:132312) Incoming S-octanoyl-4ʼ-phosphopantetheine (CHEBI:132312) is conjugate acid of S-octanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132013) IUPAC Name N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-N-[2-(octanoylsulfanyl)ethyl]-β-alaninamide Synonyms Sources capryloyl-4ʼ-phosphopantetheine(2−) ChEBI octanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER S-capryloyl-4ʼ-phosphopantetheine(2−) ChEBI S-octanoyl-4ʼ-phosphopantetheine UniProt Citation Type Source 18799520 PubMed citation SUBMITTER Last Modified 07 May 2021