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CHEBI:171688 - 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al
| Formula | C21H30O5 |
| Net Charge | 0 |
| Average Mass | 362.466 |
| Monoisotopic Mass | 362.20932 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])([C@@H](O)CC4(C=O)C(C(=O)CO)CC[C@]43[H])[C@@]1(C)CCC(=O)C2 |
| InChI | InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3/t12-,14+,15+,16?,17+,19-,20+,21?/m1/s1 |
| InChIKey | IIBOWSHDTFRYKU-AGSIWSQZSA-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) |
| 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al (CHEBI:171688) is a 21-hydroxy steroid (CHEBI:35344) |
| IUPAC Name |
|---|
| (5R,8S,9S,10S,11S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-13-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 24850103 | ChemSpider |
| LMST02030187 | LIPID MAPS |