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CHEBI:132020 - S-choloyl-4'-phosphopantetheine(2−)

ChEBI IDCHEBI:132020
ChEBI NameS-choloyl-4'-phosphopantetheine(2−)
Stars
ASCII NameS-choloyl-4'-phosphopantetheine(2-)
DefinitionAn S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-choloyl-4'-phosphopantetheine; major species at pH 7.3.
Last Modified7 May 2021
Submitterlaimo
DownloadsMolfile
FormulaC35H59N2O11PS
Net Charge-2
Average Mass746.901
Monoisotopic Mass746.35882
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C35H61N2O11PS/c1-20(6-9-29(42)50-15-14-36-28(41)11-13-37-32(44)31(43)33(2,3)19-48-49(45,46)47)23-7-8-24-30-25(18-27(40)35(23,24)5)34(4)12-10-22(38)16-21(34)17-26(30)39/h20-27,30-31,38-40,43H,6-19H2,1-5H3,(H,36,41)(H,37,44)(H2,45,46,47)/p-2/t20-,21+,22-,23-,24+,25+,26-,27+,30+,31+,34+,35-/m1/s1
InChIKeyUPYNKWYJRGJDLW-PVNVRVFMSA-L
ChEBI Ontology
Outgoing Relation(s)
S-choloyl-4'-phosphopantetheine(2−) (CHEBI:132020) is a S-acyl-4'-phosphopantetheine(2−) (CHEBI:132023)
S-choloyl-4'-phosphopantetheine(2−) (CHEBI:132020) is conjugate base of S-choloyl-4'-phosphopantetheine (CHEBI:132321)
Incoming Relation(s)
S-choloyl-4'-phosphopantetheine (CHEBI:132321) is conjugate acid of S-choloyl-4'-phosphopantetheine(2−) (CHEBI:132020)
IUPAC Name 
(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]sulfanyl}ethyl)amino]propyl}amino)butyl phosphate
UniProt Name  Source
S-choloyl-4'-phosphopantetheineUniProt
Citations