CHEBI:89454 - 17α-hydroxypregnenolone 3-sulfate

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ChEBI Name 17α-hydroxypregnenolone 3-sulfate ChEBI ID CHEBI:89454 ChEBI ASCII Name 17alpha-hydroxypregnenolone 3-sulfate Definition A steroid sulfate that is 17α-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group. Stars This entity has been manually annotated by the ChEBI Team. 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 C21H32O6S Net Charge 0 Average Mass 412.542 Monoisotopic Mass 412.19196 InChI InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16+,17-,18-,19-,20-,21-/m0/s1 InChIKey OMOKWYAQVYBHMG-TVWVXWENSA-N SMILES C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])(C(C)=O)O)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed Roles Classification Biological Role(s): human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) has functional parent 17α-hydroxypregnenolone (CHEBI:28750) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) has role human blood serum metabolite (CHEBI:85234) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is a 17α-hydroxy steroid (CHEBI:35342) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is a 20-oxo steroid (CHEBI:36885) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is a steroid sulfate (CHEBI:16158) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is a tertiary α-hydroxy ketone (CHEBI:139592) 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) is conjugate acid of 17α-hydroxypregnenolone 3-sulfate(1−) (CHEBI:133742) Incoming 17α-hydroxypregnenolone 3-sulfate(1−) (CHEBI:133742) is conjugate base of 17α-hydroxypregnenolone 3-sulfate (CHEBI:89454) IUPAC Name 17-hydroxy-20-oxopregn-5-en-3β-yl hydrogen sulfate Synonyms Sources (3β)-17-hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate IUPAC 17-Hydroxy-pregnenolone sulfate HMDB 17-Hydroxy-pregnenolone sulphate HMDB 17-hydroxypregnenolone 3-sulfate HMDB 17-Hydroxypregnenolone 3-sulphate HMDB 17-Hydroxypregnenolone sulfate LIPID MAPS 17-Hydroxypregnenolone sulphate HMDB 17alpha-Hydroxypregnenolone sulfate ChemIDplus Manual Xrefs Databases FDB022032 FooDB HMDB0000416 HMDB LMST05020021 LIPID MAPS View more database links Registry Numbers Types Sources 28901-70-4 CAS Registry Number ChemIDplus 5774387 Reaxys Registry Number Reaxys Citations Types Sources 12642469 PubMed citation Europe PMC 12829005 PubMed citation Europe PMC 14163950 PubMed citation Europe PMC 14264252 PubMed citation Europe PMC 14625002 PubMed citation Europe PMC 17298837 PubMed citation Europe PMC 26239050 PubMed citation Europe PMC 28472487 PubMed citation Europe PMC 3208699 PubMed citation Europe PMC 3260857 PubMed citation Europe PMC 34324429 PubMed citation Europe PMC 4054406 PubMed citation Europe PMC 4076471 PubMed citation Europe PMC Last Modified 20 April 2022