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Urocortisone

PropertiesImage
MNX_IDMNXM735695 Image of MNXM735695
referencechebi:9901
formulaC21H32O5
global charge0
mol weight364.482
InChIKeySYGWGHVTLUBCEM-ZIZPXRJBSA-N
InChIInChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1 Image of MNXM735695
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:16](=[O: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:9901
chebi:9901
SYGWGHVTLUBCEM-ZIZPXRJBSA-N 		Urocortisone
(1S,2S,5S,7S,10S,11S,14R,15S)-5,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-17-one
(3a,5b)-3,17,21-trihydroxy-pregnane-11,20-dione
3,17-Dihydroxy-17-hydroxyacetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-11-one
3a,17,21-Trihydroxy-5a-pregnane-11,20-dione
3a,17,21-Trihydroxy-5b-pregnane-11,20-dione
3alpha,17,21-Trihydroxypregnane-11,20-dione
3alpha,17,21-trihydroxy-5beta-Pregnane-11,20-dione
3b,17,21-Trihydroxy-5a-pregnane-11,20-dione
5a-Pregnan-3b,17a,21-triol-11,20-dion
Ba 2681
Tetrahydro E
Tetrahydro-Cortisone
Tetrahydrocompound E
Tetrahydrocortison

sabiork.compound:26651
sabiorkM:26651
SYGWGHVTLUBCEM-DIRXDLKGSA-N 		Tetrahydrocortisone
5beta-Pregnane-3alpha,17alpha,21-triol-11,20-dione
Urocortisone

kegg.compound:C05470
keggC:C05470
SYGWGHVTLUBCEM-ZIZPXRJBSA-N 		Tetrahydrocortisone
Urocortisone

lipidmaps:LMST02030098
lipidmapsM:LMST02030098
SYGWGHVTLUBCEM-ZIZPXRJBSA-N 		Urocortisone
3alpha,17alpha,21-dihydroxy-5beta-pregnane-11,20-dione
O5
ST 21:2
Tetrahydrocortisone

seed.compound:cpd03251
seedM:cpd03251
SYGWGHVTLUBCEM-ZIZPXRJBSA-N 		Urocortisone
Tetrahydrocortisone
urocortisone

keggC:M_C05470
seedM:M_cpd03251 		secondary/obsolete/fantasy identifier