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

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ChEBI Name 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
ChEBI ID CHEBI:79540
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=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
InChIKey QKKCZNAIRYQRKP-WDCLZLQXSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(C[C@]34C)C=O)[C@@H]1CC[C@@H]2O
ChEBI Ontology
Outgoing 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 Xref Database
C15017 KEGG COMPOUND
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Registry Number Type Source
601-16-1 CAS Registry Number KEGG COMPOUND
Last Modified
17 March 2016