CHEBI:77845 - 7-aminocholesterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-aminocholesterol
ChEBI ID CHEBI:77845
Definition A 3β-sterol that is cholesterol substituted at position 7 by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H47NO
Net Charge 0
Average Mass 401.66820
Monoisotopic Mass 401.36577
InChI InChI=1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1
InChIKey WLHQSAYHIOPMMJ-UOQFGJKXSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-aminocholesterol (CHEBI:77845) has functional parent cholesterol (CHEBI:16113)
7-aminocholesterol (CHEBI:77845) has role antibacterial agent (CHEBI:33282)
7-aminocholesterol (CHEBI:77845) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
7-aminocholesterol (CHEBI:77845) is a 3β-sterol (CHEBI:35348)
7-aminocholesterol (CHEBI:77845) is a cholestanoid (CHEBI:50401)
7-aminocholesterol (CHEBI:77845) is a primary amino compound (CHEBI:50994)
IUPAC Name
7-aminocholest-5-en-3β-ol
Synonym Source
(3beta)-7-Aminocholest-5-en-3-ol ChemIDplus
Registry Numbers Types Sources
156856-03-0 CAS Registry Number ChemIDplus
9165538 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22129104 PubMed citation Europe PMC
7896083 PubMed citation Europe PMC
8056288 PubMed citation Europe PMC
Last Modified
25 April 2017