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CHEBI:1689 - 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one

ChEBI IDCHEBI:1689
ChEBI Name3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H]C12CCC3C4CCC(C(O)CO)C4(C)CC(=O)C3C1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,18-19,22-23,25H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18?,19?,20?,21?/m1/s1
InChIKeyNGYONPIMXAHRCT-GSAWHMRWSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one (CHEBI:1689) is a 21-hydroxy steroid (CHEBI:35344)
Synonym  Source
3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-oneKEGG COMPOUND
Manual XrefsDatabases
C05483KEGG COMPOUND