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CHEBI:17934 - pregnan-21-al

ChEBI IDCHEBI:17934
ChEBI Namepregnan-21-al
Stars
Secondary ChEBI IDsCHEBI:8384, CHEBI:14879, CHEBI:26230
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H34O
Net Charge0
Average Mass302.502
Monoisotopic Mass302.26097
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](CC=O)CC[C@@]21[H]
InChIInChI=1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15?,16-,17+,18+,19+,20+,21-/m1/s1
InChIKeyUJWPMRYSXHLYMB-XFNFOBRPSA-N
ChEBI Ontology
Outgoing Relation(s)
pregnan-21-al (CHEBI:17934) has parent hydride pregnane (CHEBI:8386)
pregnan-21-al (CHEBI:17934) is a 21-oxo steroid (CHEBI:36886)
pregnan-21-al (CHEBI:17934) is a C21-steroid (CHEBI:61313)
pregnan-21-al (CHEBI:17934) is a steroid aldehyde (CHEBI:131565)
IUPAC Name 
pregnan-21-al
Synonym  Source
Pregnan-21-alKEGG COMPOUND
UniProt Name  Source
pregnan-21-alUniProt
Manual XrefsDatabases
C00891KEGG COMPOUND