CHEBI:132014 - S-decanoyl-4ʼ-phosphopantetheine(2−)

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ChEBI Name S-decanoyl-4ʼ-phosphopantetheine(2−)
ChEBI ID CHEBI:132014
ChEBI ASCII Name S-decanoyl-4'-phosphopantetheine(2-)
Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-decanoyl-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 C21H39N2O8PS
Net Charge -2
Average Mass 510.584
Monoisotopic Mass 510.21757
InChI InChI=1S/C21H41N2O8PS/c1-4-5-6-7-8-9-10-11-18(25)33-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-31-32(28,29)30/h19,26H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H2,28,29,30)/p-2/t19-/m0/s1
InChIKey WBQLWGUAQDSZRE-IBGZPJMESA-L
SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCCCC
ChEBI Ontology
Outgoing S-decanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132014) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023)
S-decanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132014) is conjugate base of S-decanoyl-4ʼ-phosphopantetheine (CHEBI:132313)
Incoming S-decanoyl-4ʼ-phosphopantetheine (CHEBI:132313) is conjugate acid of S-decanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132014)
IUPAC Name
N-[2-(decanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
Synonyms Sources
capryl-4-phosphopantetheine(2−) ChEBI
decanoyl-4ʼ-phosphopantetheine UniProt
decanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER
S-capryl-4-phosphopantetheine(2−) ChEBI
Citation Waiting for Citations Type Source
18799520 PubMed citation SUBMITTER
Last Modified
29 June 2016