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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 S-choloyl-4ʼ-phosphopantetheine UniProt Citation Type Source 18799520 PubMed citation SUBMITTER Last Modified 07 May 2021