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 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