CHEBI:133695 - 21-hydroxypregnenolone disulfate

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ChEBI Name 21-hydroxypregnenolone disulfate ChEBI ID CHEBI:133695 Definition A steroid sulfate that is 21-hydroxypregnenolone in which both hydroxy hydrogens have been replaced by sulfo groups. 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 C21H32O9S2 Net Charge 0 Average Mass 492.606 Monoisotopic Mass 492.14877 InChI InChI=1S/C21H32O9S2/c1-20-9-7-14(30-32(26,27)28)11-13(20)3-4-15-16-5-6-18(19(22)12-29-31(23,24)25)21(16,2)10-8-17(15)20/h3,14-18H,4-12H2,1-2H3,(H,23,24,25)(H,26,27,28)/t14-,15-,16-,17-,18+,20-,21-/m0/s1 InChIKey CBOVWLYQUCVTFA-WPWXJNKXSA-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(COS(O)(=O)=O)=O)[H])[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) 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 21-hydroxypregnenolone disulfate (CHEBI:133695) has functional parent 21-hydroxypregnenolone (CHEBI:28043) 21-hydroxypregnenolone disulfate (CHEBI:133695) has role human blood serum metabolite (CHEBI:85234) 21-hydroxypregnenolone disulfate (CHEBI:133695) is a 20-oxo steroid (CHEBI:36885) 21-hydroxypregnenolone disulfate (CHEBI:133695) is a steroid sulfate (CHEBI:16158) 21-hydroxypregnenolone disulfate (CHEBI:133695) is conjugate acid of 21-hydroxypregnenolone disulfate anion (CHEBI:133698) 21-hydroxypregnenolone disulfate (CHEBI:133695) is conjugate acid of 21-hydroxypregnenolone disulfate(2−) (CHEBI:133699) Incoming 21-hydroxypregnenolone disulfate anion (CHEBI:133698) is conjugate base of 21-hydroxypregnenolone disulfate (CHEBI:133695) 21-hydroxypregnenolone disulfate(2−) (CHEBI:133699) is conjugate base of 21-hydroxypregnenolone disulfate (CHEBI:133695) IUPAC Name 20-oxopregn-5-ene-3β,21-diyl bis(hydrogen sulfate) Synonyms Sources (3β)-20-oxopregn-5-ene-3,21-diyl bis(hydrogen sulfate) IUPAC Pregnenolone-3,21-disulfate ChemIDplus Registry Numbers Types Sources 5639-07-6 CAS Registry Number ChemIDplus 6024733 Reaxys Registry Number Reaxys Citation Type Source 9219925 PubMed citation Europe PMC Last Modified 10 October 2016