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CHEBI:79540 - 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde

ChEBI IDCHEBI:79540
ChEBI Name17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@]12CC=C(C=O)C[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CC2
InChIInChI=1S/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1
InChIKeyQKKCZNAIRYQRKP-WDCLZLQXSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde (CHEBI:79540) is a androstanoid (CHEBI:50402)
17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde (CHEBI:79540) is a steroid aldehyde (CHEBI:131565)
Manual XrefsDatabases
C15017KEGG COMPOUND
Registry NumbersSources
CAS:601-16-1KEGG COMPOUND