Feedback

5alpha-Pregnane-3alpha,20alpha-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM163216

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₃₆O₂

charge

mass

320.27153

reference

chebi:81470

InChIKey

YWYQTGBBEZQBGO-CGVINKDUSA-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:81470 chebi:81470 kegg.compound:C18042 keggC:C18042	5alpha-Pregnane-3alpha,20alpha-diol Allopregnane-3alpha,20alpha-diol
sabiork.compound:25597 sabiorkM:25597	5alpha-Pregnan-3alpha,20alpha-diol (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
hmdb:HMDB0060409	5alpha-Pregnane-3alpha,20alpha-diol (1S,2S,5R,7S,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol 5a-Pregnane-3a,20a-diol 5alpha-pregnane-3alpha,20alpha-diol Allopregnane-3a,20a-diol Allopregnane-3alpha,20alpha-diol
seed.compound:cpd18025 seedM:cpd18025	Allopregnane-3alpha,20alpha-diol 5alpha-Pregnane-3alpha,20alpha-diol
hmdb:HMDB60409 keggC:M_C18042 seedM:M_cpd18025	secondary/obsolete/fantasy identifier