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11-dehydrocorticosterone

PropertiesImage
MNX_IDMNXM733370 Image of MNXM733370
referencechebi:78600
formulaC21H28O4
global charge0
mol weight344.451
InChIKeyFUFLCEKSBBHCMO-KJQYFISQSA-N
InChIInChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
SMILESC[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1 Image of MNXM733370
SMILES (mnx)[CH3:1][C@:20]12[CH2:8][CH2:7][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:16]([C:18]([CH2:11][OH:22])=[O:25])[C@@:21]3([CH3:2])[CH2:10][C:17](=[O:24])[C@@H:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78600
chebi:78600
FUFLCEKSBBHCMO-KJQYFISQSA-N 		11-dehydrocorticosterone
11-DHC
11-oxo-11-deoxycorticosterone
17-(1-keto-2-hydroxyethyl)-Delta(4)androsten-3,11-dione
17-deoxycortisone
4-pregnen-21-ol- 3,11,20-trione
Delta(4)-pregnen-21-ol-3,11,20-trione
Kendall's compound A
dehydrocorticosterone

seed.compound:cpd03270
seedM:cpd03270
sabiork.compound:7959
sabiorkM:7959
FUFLCEKSBBHCMO-UHFFFAOYSA-N 		11-Dehydrocorticosterone

lipidmaps:LMST02030284
lipidmapsM:LMST02030284
FUFLCEKSBBHCMO-KJQYFISQSA-N 		11-Dehydrocorticosterone
17-Deoxycortisone
21-Hydroxypregn-4-ene-3,11,20-trione
4pregnen-21-ol-3,11,20-trione
Kendall's compound A
O4
ST 21:4

kegg.compound:C05490
keggC:C05490
FUFLCEKSBBHCMO-PQSJYGQNSA-N 		11-Dehydrocorticosterone
21-Hydroxypregn-4-ene-3,11,20-trione

metacyc.compound:CPD-23991
metacycM:CPD-23991
FUFLCEKSBBHCMO-KJQYFISQSA-N 		11-dehydrocorticosterone
11-DHC
11-oxo-11-deoxycorticosterone
17-deoxycortisone
4-pregnen-21-ol- 3,11,20-trione

SLM:000485386
slm:000485386
FUFLCEKSBBHCMO-KJQYFISQSA-N 		21-hydroxypregn-4-ene-3,11,20-trione

chebi:711
keggC:M_C05490
seedM:M_cpd03270 		secondary/obsolete/fantasy identifier