CHEBI:41321 - cholesterol sulfate

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ChEBI Name cholesterol sulfate
ChEBI ID CHEBI:41321
Definition A steroid sulfate that is cholesterol substituted by a sulfoxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35377, CHEBI:41316, CHEBI:86594
Supplier Information
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Formula C27H46O4S
Net Charge 0
Average Mass 466.71774
Monoisotopic Mass 466.312
InChI InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey BHYOQNUELFTYRT-DPAQBDIFSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cholesterol sulfate (CHEBI:41321) has functional parent cholesterol (CHEBI:16113)
cholesterol sulfate (CHEBI:41321) has role human metabolite (CHEBI:77746)
cholesterol sulfate (CHEBI:41321) is a steroid sulfate (CHEBI:16158)
IUPAC Name
cholest-5-en-3β-yl hydrogen sulfate
Synonyms Sources
CHOLEST-5-EN-3-YL HYDROGEN SULFATE PDBeChem
Cholest-5-en-3beta-ol sulfate KEGG COMPOUND
cholesterol sulfate ChemIDplus
cholesteryl sulfate ChemIDplus
Database Links Databases
C18043 KEGG COMPOUND
C3S PDBeChem
View more database links
Registry Numbers Types Sources
1256-86-6 CAS Registry Number ChemIDplus
3225885 Beilstein Registry Number Beilstein
Last Modified
23 October 2015