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CHEBI:132015 - S-dodecanoyl-4'-phosphopantetheine(2−)

Default Structure
ChEBI IDCHEBI:132015
ChEBI NameS-dodecanoyl-4'-phosphopantetheine(2−)
Stars
ASCII NameS-dodecanoyl-4'-phosphopantetheine(2-)
DefinitionAn S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-dodecanoyl-4'-phosphopantetheine; major species at pH 7.3.
Last Modified7 May 2021
Submitterlaimo
DownloadsMolfile
FormulaC23H43N2O8PS
Net Charge-2
Average Mass538.644
Monoisotopic Mass538.24887
SMILESCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]
InChIInChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/p-2/t21-/m0/s1
InChIKeyMVHUOSAYFQKAMT-NRFANRHFSA-L
ChEBI Ontology
Outgoing Relation(s)
S-dodecanoyl-4'-phosphopantetheine(2−) (CHEBI:132015) is a S-acyl-4'-phosphopantetheine(2−) (CHEBI:132023)
S-dodecanoyl-4'-phosphopantetheine(2−) (CHEBI:132015) is conjugate base of S-dodecanoyl-4'-phosphopantetheine (CHEBI:132316)
Incoming Relation(s)
S-dodecanoyl-4'-phosphopantetheine (CHEBI:132316) is conjugate acid of S-dodecanoyl-4'-phosphopantetheine(2−) (CHEBI:132015)
IUPAC Name 
N-[2-(dodecanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
Synonyms  Source
dodecanoyl-4'-phosphopantetheine(2−)SUBMITTER
S-lauroyl-4'-phosphopantetheine(2−)ChEBI
lauroyl-4'-phosphopantetheine(2−)ChEBI
UniProt Name  Source
S-dodecanoyl-4'-phosphopantetheineUniProt
Citations