CHEBI:137049 - 16α,17α-dihydroxypregnenolone

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ChEBI Name 16α,17α-dihydroxypregnenolone ChEBI ID CHEBI:137049 ChEBI ASCII Name 16alpha,17alpha-dihydroxypregnenolone Definition A pregnane sterol that is pregnenolone substituted by two hydroxy groups at positions 16 and 17 (16α,17α-stereoisomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information ChemicalBook:CB8292656, ChemicalBook:CB5208584, eMolecules:475163, ZINC000008437654 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32O4 Net Charge 0 Average Mass 348.477 Monoisotopic Mass 348.23006 InChI InChI=1S/C21H32O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1 InChIKey JUTWIBFBXPFWGP-XXHSLLPRSA-N SMILES C1[C@@]2([C@]3(CC[C@]4(C)[C@]([C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O)[H])[H])O)(C(=O)C)O)[H])C ChEBI Ontology Outgoing 16α,17α-dihydroxypregnenolone (CHEBI:137049) is a 16α-hydroxy steroid (CHEBI:16799) 16α,17α-dihydroxypregnenolone (CHEBI:137049) is a 17α-hydroxy steroid (CHEBI:35342) 16α,17α-dihydroxypregnenolone (CHEBI:137049) is a hydroxypregnenolone (CHEBI:36730) 16α,17α-dihydroxypregnenolone (CHEBI:137049) is a pregnane sterol (CHEBI:131698) 16α,17α-dihydroxypregnenolone (CHEBI:137049) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name 3β,16α-trihydroxypregn-5-en-20-one Synonyms Sources (β,16α)-3,16,17-trihydroxypregn-5-en-20-one IUPAC 16α,17-dihydroxypregnenolone ChEBI 16α,17α-dihydroxypregnenolone UniProt 3β,16α,17α-trihydroxypregn-5-en-20-one SUBMITTER Registry Number Type Source 3218556 Reaxys Registry Number Reaxys Citation Type Source 27339894 PubMed citation SUBMITTER Last Modified 06 February 2018