CHEBI:133695 - 21-hydroxypregnenolone disulfate

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ChEBI Name 21-hydroxypregnenolone disulfate
Definition A steroid sulfate that is 21-hydroxypregnenolone in which both hydroxy hydrogens have been replaced by sulfo groups.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
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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
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)
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 Waiting for Citations Type Source
9219925 PubMed citation Europe PMC
Last Modified
10 October 2016