CHEBI:132021 - S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−)

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ChEBI Name S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) ChEBI ID CHEBI:132021 ChEBI ASCII Name S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-) Definition An S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-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 C38H65N2O11PS Net Charge -2 Average Mass 788.971 Monoisotopic Mass 788.40577 InChI InChI=1S/C38H67N2O11PS/c1-22(26-10-11-27-32-28(20-30(43)38(26,27)6)37(5)14-12-25(41)18-24(37)19-29(32)42)8-7-9-23(2)35(47)53-17-16-39-31(44)13-15-40-34(46)33(45)36(3,4)21-51-52(48,49)50/h22-30,32-33,41-43,45H,7-21H2,1-6H3,(H,39,44)(H,40,46)(H2,48,49,50)/p-2/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1 InChIKey FIWSQOCVKNESKS-JWGNTNLOSA-L SMILES C(SCCNC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)(=O)C(CCC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@](C[C@@H]2O)([C@@]4([C@@](C[C@@H](CC4)O)(C[C@H]3O)[H])C)[H])[H])(CC1)[H])C)[H])C)C ChEBI Ontology Outgoing S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023) S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021) is conjugate base of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) Incoming S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) is conjugate acid of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021) IUPAC Name (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-26-oxocholestan-26-yl]sulfanyl}ethyl)amino]propyl}amino)butyl phosphate Synonyms Sources 3,7,12-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine(2−) ChEBI 3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine UniProt 3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine(2−) SUBMITTER S-(3,7,12-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) ChEBI S-trihydroxycoprostanoyl-4ʼ-phosphopantetheine(2−) ChEBI trihydroxycoprostanoyl-4ʼ-phosphopantetheine(2−) ChEBI Citation Type Source 18799520 PubMed citation SUBMITTER Last Modified 30 June 2016