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aldosterone

PropertiesImage
MNX_IDMNXM728835 Image of MNXM728835
referencechebi:27584
formulaC21H28O5
global charge0
mol weight360.45
InChIKeyPQSUYGKTWSAVDQ-ZVIOFETBSA-N
InChIInChI=1S/C21H28O5/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/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H28O5/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/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 Image of MNXM728835
SMILES (mnx)[CH3:1][C@:20]12[CH2:7][CH2:6][C:13](=[O:24])[CH:8]=[C:12]1[CH2:2][CH2:3][C@H:14]1[C@@H:15]3[CH2:4][CH2:5][C@H:16]([C:18]([CH2:10][OH:22])=[O:26])[C@@:21]3([CH:11]=[O:23])[CH2:9][C@H:17]([OH:25])[C@@H:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-1449669
reactomeM:R-ALL-1449669
reactome:R-ALL-193982
reactomeM:R-ALL-193982
reactome:R-ALL-5618072
reactomeM:R-ALL-5618072
reactome:R-ALL-5618115
reactomeM:R-ALL-5618115
CHEBI:27584
chebi:27584
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		aldosterone
(+)-aldosterone
(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
ALDOSTERONE
Aldosterone

kegg.drug:D10528
keggD:D10528
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldosterone (INN)
hmdb:HMDB0000037
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldosterone
(+)-Aldosterone
(11b)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al
(11beta)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al
(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde
11b,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al
11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-al
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
11beta,21-Dihydroxypregn-4-ene-3,18,20-trione
11beta,21-dihydroxy-3,20-diketo-4-pregnen-18-al
11beta,21-dihydroxy-3,20-diketopregn-4-ene-18-al
11beta,21-dihydroxy-3,20-dioxo-4-pregnen-18-al
11beta,21-dihydroxypregn-4-ene-3,18,20-trione
18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dione
18-Oxocorticosterone
Aldosterone, (+-)-isomer
Aldosterone, (11 beta,17 alpha)-isomer

seed.compound:cpd01228
seedM:cpd01228
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldosterone
(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
aldosterone

kegg.compound:C01780
keggC:C01780
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldosterone
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al

lipidmaps:LMST02030026
lipidmapsM:LMST02030026
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldosterone
11beta,21-dihydroxy-3,20-diketo-4-pregnen-18-al
11beta,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al
O5
ST 21:4

bigg.metabolite:aldstrn
biggM:aldstrn
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		Aldstrn c

SLM:000485683
slm:000485683
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		aldosterone

metacyc.compound:ALDOSTERONE
metacycM:ALDOSTERONE
PQSUYGKTWSAVDQ-ZVIOFETBSA-N 		aldosterone
(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al

vmhM:aldstrn
vmhmetabolite:aldstrn
PQSUYGKTWSAVDQ-VYUGVHJVSA-N 		aldosterone
(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde

hmdb:HMDB00037
chebi:22306
chebi:2563
chebi:40919
biggM:M_aldstrn
keggC:M_C01780
keggD:M_D10528
seedM:M_cpd01228
vmhM:M_aldstrn 		secondary/obsolete/fantasy identifier