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17alpha,21-dihydroxypregnenolone

Properties

Image

Occurences in reactions

MNX_ID

MNXM3796

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	3

formula

C₂₁H₃₂O₄

charge

mass

348.23006

reference

chebi:27832

InChIKey

JNHJGXQUDOYJAK-IYRCEVNGSA-N

InChI

InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27832 chebi:27832	17alpha,21-dihydroxypregnenolone 17alpha,21-Dihydroxypregnenolone 3beta,17,21-trihydroxypregn-5-en-20-one
bigg.metabolite:M00406 biggM:M00406	17Alpha,21-Dihydroxypregnenolone
seed.compound:cpd03267 seedM:cpd03267 kegg.compound:C05487 keggC:C05487	17alpha,21-Dihydroxypregnenolone
hmdb:HMDB0006762	17alpha,21-Dihydroxypregnenolone (3beta)-3,17,21-Trihydroxypregn-5-en-20-one (3beta)-3,17,21-trihydroxypregn-5-en-20-one 1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]-2-hydroxyethan-1-one 1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]-2-hydroxyethanone 17, 21-Dihydroxypregnenolone 17,21-Dihydroxypregnenolone 17a,21-Dihydroxypregnenolone 17alpha,21-Dihydroxypreg-nenolone 17alpha,21-dihydroxypregnenolone 3beta,17,21-Trihydroxy-pregn-5-en-20-one 3beta,17,21-trihydroxy-pregn-5-en-20-one 3beta,17alpha,21-Trihydroxypregn-5-en-20-one 3beta,17alpha,21-Trihydroxypregnenone 3beta,17alpha,21-trihydroxypregn-5-en-20-one 3beta,17alpha,21-trihydroxypregnenone
lipidmaps:LMST02030141 lipidmapsM:LMST02030141	3beta,17alpha,21-Trihydroxy-pregnenone 3b,17a,21-Trihydroxy-Pregnenone 3beta,17alpha,21-Trihydroxy-pregn-5-en-20-one O4 ST 21:2
hmdb:HMDB0000382 hmdb:HMDB00382 hmdb:HMDB06762 chebi:19170 chebi:786 biggM:M_M00406 keggC:M_C05487 seedM:M_cpd03267	secondary/obsolete/fantasy identifier