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

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ChEBI Name 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
ChEBI ID CHEBI:1684
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32O5
Net Charge 0
Average Mass 364.477
Monoisotopic Mass 364.22497
InChI InChI=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
InChIKey YWTDWORQGPLRLL-RXKIGOLRSA-N
SMILES C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
ChEBI Ontology
Outgoing 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-al KEGG COMPOUND
Manual Xref Database
C05474 KEGG COMPOUND
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Last Modified
06 November 2019