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
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 UniProt
octanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER
S-capryloyl-4ʼ-phosphopantetheine(2−) ChEBI
Citation Waiting for Citations Type Source
18799520 PubMed citation SUBMITTER
Last Modified
29 June 2016