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aldosterone hemiacetal

MNXM726398 is deprecated and replaced by MNXM726397
PropertiesImage
MNX_IDMNXM726397 Image of MNXM726397
referencechebi:30834
formulaC21H28O5
global charge0
mol weight360.45
InChIKeyQUQBHBRVKLEOEI-UBWIUKTRSA-N
InChIInChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3(C(O)O2)[C@@H](C(=O)CO)CC[C@@H]13
MNX internals
InChI (mnx)InChI=1/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1 Image of MNXM726397
SMILES (mnx)[CH3:1][C@:20]12[CH2:7][CH2:6][C:12](=[O:23])[CH:8]=[C:11]1[CH2:2][CH2:3][C@H:13]1[C@@H:14]3[CH2:4][CH2:5][C@H:15]([C:16]([CH2:10][OH:22])=[O:24])[C@@:21]34[CH2:9][C@@H:17]([C@@H:18]12)[O:26][CH:19]4[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:30834
chebi:30834
QUQBHBRVKLEOEI-UBWIUKTRSA-N 		aldosterone hemiacetal
11beta,18-epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
11beta,18-epoxy-18xi-hydroxypregn-4-ene-3,20-dione
11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
18,11-hemiacetal of 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
18xi,21-dihydroxy-11beta,18-epoxypregn-4-ene-3,20-dione
3,20-Diketo-11-beta,18-oxido-4-pregnene-18,21-diol
aldosterone

kegg.compound:C18039
keggC:C18039
QUQBHBRVKLEOEI-UBWIUKTRSA-N 		Aldosterone hemiacetal
11beta,18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione

seed.compound:cpd18022
seedM:cpd18022
QUQBHBRVKLEOEI-UBWIUKTRSA-N 		Aldosterone hemiacetal
11beta,18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione

lipidmaps:LMST02030145
lipidmapsM:LMST02030145
QUQBHBRVKLEOEI-UBWIUKTRSA-N 		Aldosterone hemiacetal
18,11-hemiacetal of 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
18xi,21-dihydroxy-11beta,18-epoxypregn-4-ene-3,20-dione
O5
ST 21:4

sabiork.compound:5798
sabiorkM:5798
QUQBHBRVKLEOEI-UBWIUKTRSA-N 		Aldosterone
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al

keggC:M_C18039
seedM:M_cpd18022 		secondary/obsolete/fantasy identifier