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Pregnanediol

Properties

Image

Occurences in reactions

MNX_ID

MNXM740222

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₁H₃₆O₂

charge

mass

320.27153

reference

chebi:8387

InChIKey

YWYQTGBBEZQBGO-BERLURQNSA-N

InChI

InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1

SMILES

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8387 chebi:8387	Pregnanediol (1S,2S,10S,11S,14S,15R)-14-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,5-diol (3a,5b,20S)-Pregnane-3,20-diol 3a,20a-Dihydroxy-5b-pregnane 5b-Pregnane-3a,20a-diol 5beta-Pregnane-3alpha,20 alpha-diol 5beta-Pregnane-3alpha,20alpha-diol Diol Pregnandiol
seed.compound:cpd03265 seedM:cpd03265	Diol 5beta-Pregnane-3alpha,20alpha-diol Pregnandiol Pregnanediol pregnanediol
kegg.drug:D00189 keggD:D00189	Pregnanediol (JAN) Diol (TN)
sabiork.compound:7954 sabiorkM:7954	Pregnanediol 3alpha-Hydroxy-5beta-pregnan-20-ol 5beta-Pregnan-3alpha,20alpha-diol 5beta-Pregnane-3alpha,20alpha-diol Pregnandiol
kegg.compound:C05484 keggC:C05484	Pregnanediol 5beta-Pregnane-3alpha,20alpha-diol Diol Pregnandiol
metacyc.compound:PREGNANEDIOL metacycM:PREGNANEDIOL	pregnanediol (3alpha,5beta,20S)-pregnane-3,20-diol 3alpha,20alpha-dihydroxy-5beta-pregnane 5beta-Pregnane-3alpha,20alpha-diol pregnandiol
keggC:M_C05484 keggD:M_D00189 seedM:M_cpd03265	secondary/obsolete/fantasy identifier