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

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ChEBI Name S-choloyl-4ʼ-phosphopantetheine(2−)
ChEBI ID CHEBI:132020
ChEBI ASCII Name S-choloyl-4'-phosphopantetheine(2-)
Definition An S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-choloyl-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 C35H59N2O11PS
Net Charge -2
Average Mass 746.891
Monoisotopic Mass 746.35882
InChI InChI=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
InChIKey UPYNKWYJRGJDLW-PVNVRVFMSA-L
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(SCCNC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)=O)C)[H])C)O)[H])C
ChEBI Ontology
Outgoing S-choloyl-4ʼ-phosphopantetheine(2−) (CHEBI:132020) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023)
S-choloyl-4ʼ-phosphopantetheine(2−) (CHEBI:132020) is conjugate base of S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321)
Incoming S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321) is conjugate acid of S-choloyl-4ʼ-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
Synonym Source
choloyl-4ʼ-phosphopantetheine UniProt
Citation Waiting for Citations Type Source
18799520 PubMed citation SUBMITTER
Last Modified
29 June 2016