CHEBI:132322 - S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine

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ChEBI Name S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine
ChEBI ID CHEBI:132322
ChEBI ASCII Name S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-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 3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H67N2O11PS
Net Charge 0
Average Mass 790.987
Monoisotopic Mass 790.42032
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)/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1
InChIKey FIWSQOCVKNESKS-JWGNTNLOSA-N
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
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-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) has functional parent 3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:18402)
S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) has role mouse metabolite (CHEBI:75771)
S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) is a S-acyl-4ʼ-phosphopantetheine (CHEBI:132310)
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)
Incoming 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)
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-trihydroxycholestane-26-thioate
Synonyms Sources
3,7,12-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine ChEBI
3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine ChEBI
S-(3,7,12-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine ChEBI
S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-D-pantetheine 4'-phosphate ChEBI
S-trihydroxycoprostanoyl-4ʼ-phosphopantetheine ChEBI
trihydroxycoprostanoyl-4ʼ-phosphopantetheine ChEBI
Citation Waiting for Citations Type Source
18799520 PubMed citation Europe PMC
Last Modified
30 June 2016