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CHEBI:77845 - 7-aminocholesterol

ChEBI IDCHEBI:77845
ChEBI Name7-aminocholesterol
Stars
DefinitionA 3β-sterol that is cholesterol substituted at position 7 by an amino group.
Last Modified25 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC27H47NO
Net Charge0
Average Mass401.679
Monoisotopic Mass401.36577
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])C(N)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=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
InChIKeyWLHQSAYHIOPMMJ-UOQFGJKXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
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-olChemIDplus
Registry NumbersSources
Reaxys:9165538Reaxys
CAS:156856-03-0ChemIDplus
Citations