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

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ChEBI Name S-dodecanoyl-4ʼ-phosphopantetheine(2−)
ChEBI ID CHEBI:132015
ChEBI ASCII Name S-dodecanoyl-4'-phosphopantetheine(2-)
Definition An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-dodecanoyl-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 C23H43N2O8PS
Net Charge -2
Average Mass 538.637
Monoisotopic Mass 538.24887
InChI InChI=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
InChIKey MVHUOSAYFQKAMT-NRFANRHFSA-L
SMILES C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCCCCCC
ChEBI Ontology
Outgoing S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023)
S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015) is conjugate base of S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316)
Incoming S-dodecanoyl-4ʼ-phosphopantetheine (CHEBI:132316) is conjugate acid of S-dodecanoyl-4ʼ-phosphopantetheine(2−) (CHEBI:132015)
IUPAC Name
N-[2-(dodecanoylsulfanyl)ethyl]-N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-β-alaninamide
Synonyms Sources
dodecanoyl-4ʼ-phosphopantetheine UniProt
dodecanoyl-4ʼ-phosphopantetheine(2−) SUBMITTER
lauroyl-4'-phosphopantetheine(2−) ChEBI
S-lauroyl-4'-phosphopantetheine(2−) ChEBI
Citation Waiting for Citations Type Source
18799520 PubMed citation SUBMITTER
Last Modified
29 June 2016