CHEBI:132321 - S-choloyl-4ʼ-phosphopantetheine

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ChEBI Name S-choloyl-4ʼ-phosphopantetheine
ChEBI ID CHEBI:132321
ChEBI ASCII Name S-choloyl-4'-phosphopantetheine
Definition An S-acyl-4ʼ-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of cholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H61N2O11PS
Net Charge 0
Average Mass 748.907
Monoisotopic Mass 748.37337
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)/t20-,21+,22-,23-,24+,25+,26-,27+,30+,31+,34+,35-/m1/s1
InChIKey UPYNKWYJRGJDLW-PVNVRVFMSA-N
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
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via pantothenic acids )
water-soluble vitamin

(via pantothenic acids )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321) has functional parent cholic acid (CHEBI:16359)
S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321) has role mouse metabolite (CHEBI:75771)
S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321) is a S-acyl-4ʼ-phosphopantetheine (CHEBI:132310)
S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321) is conjugate acid of S-choloyl-4ʼ-phosphopantetheine(2−) (CHEBI:132020)
Incoming S-choloyl-4ʼ-phosphopantetheine(2−) (CHEBI:132020) is conjugate base of S-choloyl-4ʼ-phosphopantetheine (CHEBI:132321)
IUPAC Name
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] (3α,5β,7α,12α)-3,7,12-trihydroxycholane-24-thioate
Synonym Source
choloyl-4ʼ-phosphopantetheine ChEBI
Last Modified
30 June 2016