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CHEBI:78306 - ambrein

ChEBI IDCHEBI:78306
ChEBI Nameambrein
Stars
DefinitionA triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon.
Last Modified29 April 2014
Submitternamrata
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
SMILES[H][C@@]12CC[C@@](C)(O)[C@H](CC/C=C(\C)CCC3C(=C)CCCC3(C)C)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24?,25-,26+,29-,30+/m0/s1
InChIKeyBIADSXOKHZFLSN-YUOBBQQMSA-N
Wikipedia
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
ambrein (CHEBI:78306) has role hypoglycemic agent (CHEBI:35526)
ambrein (CHEBI:78306) has role mammalian metabolite (CHEBI:75768)
ambrein (CHEBI:78306) is a tertiary alcohol (CHEBI:26878)
ambrein (CHEBI:78306) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2R,4aS,8aS)-1-{(3E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl}-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
Synonym  Source
1-(6-(2,2-Dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphtholChemIDplus
Manual XrefsDatabases
AmbreinWikipedia
Registry NumbersSources
Reaxys:3655411Reaxys
CAS:473-03-0ChemIDplus
Citations