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aldosterone

Properties

Image

Occurences in reactions

MNX_ID

MNXM728835

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	8

formula

C₂₁H₂₈O₅

charge

mass

360.19367

reference

chebi:27584

InChIKey

PQSUYGKTWSAVDQ-ZVIOFETBSA-N

InChI

InChI=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

SMILES

C[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193982 reactomeM:R-ALL-193982 CHEBI:27584 chebi:27584	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	Aldosterone (INN)
seed.compound:cpd01228 seedM:cpd01228	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	Aldosterone 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
lipidmaps:LMST02030026 lipidmapsM:LMST02030026	Aldosterone 11beta,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al O5 ST 21:4
bigg.metabolite:aldstrn biggM:aldstrn	Aldstrn c
SLM:000485683 slm:000485683	aldosterone
metacyc.compound:ALDOSTERONE metacycM:ALDOSTERONE	aldosterone (11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
chebi:22306 chebi:2563 chebi:40919 biggM:M_aldstrn keggC:M_C01780 keggD:M_D10528 seedM:M_cpd01228	secondary/obsolete/fantasy identifier