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CHEBI:172125 - 5a-Cholestane-3a,7a,12a,23,25-pentol
| Formula | C27H48O5 |
| Net Charge | 0 |
| Average Mass | 452.676 |
| Monoisotopic Mass | 452.35017 |
| 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)C[C@H](O)CC(C)(C)O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | OXSBBBPDYVCAKC-TZKLZKNISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5a-Cholestane-3a,7a,12a,23,25-pentol (CHEBI:172125) is a steroid (CHEBI:35341) |
| IUPAC Name |
|---|
| (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| Manual Xrefs | Databases |
|---|---|
| LMST04030086 | LIPID MAPS |
| 20171431 | ChemSpider |