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Tetrahydrocorticosterone

PropertiesImage
MNX_IDMNXM734405 Image of MNXM734405
referencechebi:9481
formulaC21H34O4
global charge0
mol weight350.499
InChIKeyRHQQHZQUAMFINJ-DTDWNVJFSA-N
InChIInChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 Image of MNXM734405
SMILES (mnx)[CH3:1][C@:20]12[CH2:8][CH2:7][C@@H:13]([OH:23])[CH2:9][C@H: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@H:17]([OH:24])[C@@H:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9481
chebi:9481
RHQQHZQUAMFINJ-DTDWNVJFSA-N 		Tetrahydrocorticosterone
(3a,5b,11b)-3,11,21-trihydroxy-Pregnan-20-one
1-[(1S,2S,5R,7R,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one
3a,11b,21-Trihydroxy-5b-pregnan-20-one
3a,5b-Tetrahydrocorticosterone
5b-Pregnane-3a,11b,21-triol-20-one
Tetrahydro-Corticosterone

seed.compound:cpd03257
seedM:cpd03257
sabiork.compound:7946
sabiorkM:7946
kegg.compound:C05476
keggC:C05476
RHQQHZQUAMFINJ-DTDWNVJFSA-N 		Tetrahydrocorticosterone
hmdb:HMDB0000268
RHQQHZQUAMFINJ-DTDWNVJFSA-N 		Tetrahydrocorticosterone
(3alpha,5beta,11beta)-3,11,21-Trihydroxypregnan-20-one
1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one
1-[(1S,2S,5R,7R,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethanone
3alpha,11beta,21-Trihydroxy-5beta-pregnan-20-one
3alpha,5beta-Tetrahydrocorticosterone
5beta-Pregnane-3alpha,11beta,21-triol-20-one
THB

lipidmaps:LMST02030100
lipidmapsM:LMST02030100
RHQQHZQUAMFINJ-DTDWNVJFSA-N 		Tetrahydrocorticosterone
3alpha,11beta,21-5alpha-trihydroxy-pregnane-20-one
O4
ST 21:1

hmdb:HMDB00268
keggC:M_C05476
seedM:M_cpd03257 		secondary/obsolete/fantasy identifier