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

Default Structure
ChEBI IDCHEBI:132014
ChEBI NameS-decanoyl-4'-phosphopantetheine(2−)
Stars
ASCII NameS-decanoyl-4'-phosphopantetheine(2-)
DefinitionAn S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-decanoyl-4'-phosphopantetheine; major species at pH 7.3.
Last Modified29 June 2016
Submitterlaimo
DownloadsMolfile
FormulaC21H39N2O8PS
Net Charge-2
Average Mass510.590
Monoisotopic Mass510.21757
SMILESCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]
InChIInChI=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
InChIKeyWBQLWGUAQDSZRE-IBGZPJMESA-L
ChEBI Ontology
Outgoing Relation(s)
S-decanoyl-4'-phosphopantetheine(2−) (CHEBI:132014) is a S-acyl-4'-phosphopantetheine(2−) (CHEBI:132023)
S-decanoyl-4'-phosphopantetheine(2−) (CHEBI:132014) is conjugate base of S-decanoyl-4'-phosphopantetheine (CHEBI:132313)
Incoming Relation(s)
S-decanoyl-4'-phosphopantetheine (CHEBI:132313) is conjugate acid of S-decanoyl-4'-phosphopantetheine(2−) (CHEBI:132014)
IUPAC Name 
N-[2-(decanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
Synonyms  Source
capryl-4-phosphopantetheine(2−)ChEBI
decanoyl-4'-phosphopantetheine(2−)SUBMITTER
S-capryl-4-phosphopantetheine(2−)ChEBI
UniProt Name  Source
decanoyl-4'-phosphopantetheineUniProt
Citations