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CHEBI:132322 - S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine
| Formula | C38H67N2O11PS |
| Net Charge | 0 |
| Average Mass | 790.998 |
| Monoisotopic Mass | 790.42032 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O)[C@]1([H])[C@H](O)C2 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (18799520) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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. 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-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)-4'-phosphopantetheine (CHEBI:132322) has role mouse metabolite (CHEBI:75771) |
| S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine (CHEBI:132322) is a S-acyl-4'-phosphopantetheine (CHEBI:132310) |
| S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine (CHEBI:132322) is conjugate acid of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine(2−) (CHEBI:132021) |
| Incoming Relation(s) |
| S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine(2−) (CHEBI:132021) is conjugate base of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4'-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 | Source |
|---|---|
| 3,7,12-trihydroxy-5β-cholestan-26-oyl-4'-phosphopantetheine | ChEBI |
| 3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4'-phosphopantetheine | ChEBI |
| S-(3,7,12-trihydroxy-5β-cholestan-26-oyl)-4'-phosphopantetheine | ChEBI |
| S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-D-pantetheine 4'-phosphate | ChEBI |
| S-trihydroxycoprostanoyl-4'-phosphopantetheine | ChEBI |
| trihydroxycoprostanoyl-4'-phosphopantetheine | ChEBI |
| Citations |
|---|