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20-hydroxy-3-oxopregn-4-en-21-al

Properties

Image

Occurences in reactions

MNX_ID

MNXM4304

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₃₀O₃

charge

mass

330.21949

reference

chebi:15690

InChIKey

HIXLXYQKUSOMDM-FYGMKCHKSA-N

InChI

InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)C=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15690 chebi:15690	20-hydroxy-3-oxopregn-4-en-21-al 20-Hydroxy-3-oxopregn-4-en-21-al
kegg.compound:C04108 keggC:C04108	20-Hydroxy-3-oxopregn-4-en-21-al
seed.compound:cpd02538 seedM:cpd02538	20-Hydroxy-3-oxopregn-4-en-21-al 20-hydroxy-3-oxopregn-4-en-21-al
metacyc.compound:20-HYDROXY-3-OXOPREGN-4-EN-21-AL metacycM:20-HYDROXY-3-OXOPREGN-4-EN-21-AL	20-hydroxy-3-oxopregn-4-en-21-al
lipidmaps:LMST02030181 lipidmapsM:LMST02030181	20-hydroxy-3-oxopregn-4-en-21-al 20-Hydroxy-3-oxopregn-4-en-21-al 20-hydroxy-3-oxopregn-4-en-21-al O3 ST 21:3
chebi:11659 chebi:1290 chebi:19797 keggC:M_C04108 seedM:M_cpd02538	secondary/obsolete/fantasy identifier