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tetrahydrocortisol

MNXM735654 is deprecated and replaced by MNXM735651
PropertiesImage
MNX_IDMNXM735651 Image of MNXM735651
referencechebi:28320
formulaC21H34O5
global charge0
mol weight366.498
InChIKeyAODPIQQILQLWGS-GXBDJPPSSA-N
InChIInChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,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]1CC[C@]2(O)C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1 Image of MNXM735651
SMILES (mnx)[CH3:1][C@:19]12[CH2:7][CH2:5][C@@H:13]([OH:23])[CH2:9][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][OH:22])=[O:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C@H:16]([OH:24])[C@@H:18]12
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:28320
chebi:28320
AODPIQQILQLWGS-GXBDJPPSSA-N 		tetrahydrocortisol
3alpha,11beta,17,21-tetrahydroxy-5beta-pregnan-20-one
3alpha,5beta-Tetrahydrocortisol
5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one
5beta-Tetrahydrocortisol
Tetrahydrocortisol
Tetrahydrohydrocortisone
Urocortisol

lipidmaps:LMST02030143
lipidmapsM:LMST02030143
AODPIQQILQLWGS-GXBDJPPSSA-N 		Tetrahydrocortisol
3alpha,11beta,17,21-tetrahydroxy-5beta-pregnan-20-one
5b-Tetrahydrocortisol
O5
ST 21:1
Urocortisol

sabiork.compound:7942
sabiorkM:7942
AODPIQQILQLWGS-GXBDJPPSSA-N 		Urocortisol
5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one

kegg.compound:C05472
keggC:C05472
AODPIQQILQLWGS-GXBDJPPSSA-N 		Urocortisol
5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one
Tetrahydrocortisol

seed.compound:cpd03253
seedM:cpd03253
AODPIQQILQLWGS-GXBDJPPSSA-N 		Urocortisol
5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one
Tetrahydrocortisol
urocortisol

chebi:27249
chebi:9900
keggC:M_C05472
seedM:M_cpd03253 		secondary/obsolete/fantasy identifier