EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:1684 - 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al

ChEBI IDCHEBI:1684
ChEBI Name3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
Stars
Last Modified6 November 2019
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(=O)CO)[C@@]4(C=O)C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H32O5/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/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1
InChIKeyYWTDWORQGPLRLL-RXKIGOLRSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al (CHEBI:1684) is a 21-hydroxy steroid (CHEBI:35344)
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al (CHEBI:1684) is a steroid aldehyde (CHEBI:131565)
Synonym  Source
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-alKEGG COMPOUND
Manual XrefsDatabases
C05474KEGG COMPOUND