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

PropertiesImage
MNX_IDMNXM4304 Image of MNXM4304
referencechebi:15690
formulaC21H30O3
global charge0
mol weight330.468
InChIKeyHIXLXYQKUSOMDM-FYGMKCHKSA-N
InChIInChI=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
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)C=O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4304
SMILES (mnx)[CH3:1][C@:20]12[CH2:9][CH2:7][C:14](=[O:23])[CH:11]=[C:13]1[CH2:3][CH2:4][C@H:15]1[C@@H:16]3[CH2:5][CH2:6][C@H:18]([CH:19]([CH:12]=[O:22])[OH:24])[C@@:21]3([CH3:2])[CH2:10][CH2:8][C@@H:17]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15690
chebi:15690
HIXLXYQKUSOMDM-FYGMKCHKSA-N 		20-hydroxy-3-oxopregn-4-en-21-al
20-Hydroxy-3-oxopregn-4-en-21-al

kegg.compound:C04108
keggC:C04108
vmhM:M00041
vmhmetabolite:M00041
HIXLXYQKUSOMDM-FYGMKCHKSA-N 		20-Hydroxy-3-oxopregn-4-en-21-al

seed.compound:cpd02538
seedM:cpd02538
HIXLXYQKUSOMDM-FYGMKCHKSA-N 		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
HIXLXYQKUSOMDM-FYGMKCHKSA-N 		20-hydroxy-3-oxopregn-4-en-21-al

lipidmaps:LMST02030181
lipidmapsM:LMST02030181
HIXLXYQKUSOMDM-FYGMKCHKSA-N 		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
vmhM:M_M00041 		secondary/obsolete/fantasy identifier