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CHEBI:171992 - 5b-Cholestane-3a,7a,12a,25-tetrol
| Formula | C27H48O4 |
| Net Charge | 0 |
| Average Mass | 436.677 |
| Monoisotopic Mass | 436.35526 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)C([C@H](C)CCCC(C)(C)O)CC[C@@]3([H])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | NTIXPPFPXLYJCT-RUYUEJGQSA-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) |
| 5b-Cholestane-3a,7a,12a,25-tetrol (CHEBI:171992) is a cholestanoid (CHEBI:50401) |
| IUPAC Name |
|---|
| (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-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 |
|---|---|
| 146751 | ChemSpider |
| LMST04030037 | LIPID MAPS |
| HMDB0000524 | HMDB |