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 (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(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