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 466.719
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 O(S(O)(=O)=O)[C@@H]1CC=2[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])(C)CC1
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)
cholesterol sulfate (CHEBI:41321) is conjugate acid of cholesterol sulfate(1−) (CHEBI:136579)
Incoming cholesterol sulfate(1−) (CHEBI:136579) is conjugate base of cholesterol sulfate (CHEBI:41321)
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 3-sulfate HMDB
Cholesterol 3-sulphate HMDB
Cholesterol hydrogen sulfate HMDB
Cholesterol hydrogen sulphate HMDB
cholesterol sulfate ChemIDplus
Cholesterol sulphate HMDB
cholesteryl sulfate ChemIDplus
Cholesteryl sulphate HMDB
Database Links Databases
C18043 KEGG COMPOUND
C3S PDBeChem
HMDB0000653 HMDB
View more database links
Registry Numbers Types Sources
1256-86-6 CAS Registry Number ChemIDplus
3225885 Beilstein Registry Number Beilstein
3225885 Reaxys Registry Number Reaxys
Last Modified
16 June 2017