CHEBI:78306 - ambrein

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ChEBI Name ambrein
ChEBI ID CHEBI:78306
Definition A triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H52O
Net Charge 0
Average Mass 428.73330
InChI InChI=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
InChIKey BIADSXOKHZFLSN-YUOBBQQMSA-N
SMILES C\C(CCC1C(=C)CCCC1(C)C)=C/CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
Roles Classification
Biological Role(s): mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
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ChEBI Ontology
Outgoing 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-naphthol ChemIDplus
Database Link Database
Ambrein Wikipedia
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Registry Numbers Types Sources
3655411 Reaxys Registry Number Reaxys
473-03-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11758796 PubMed citation CiteXplore
1479744 PubMed citation CiteXplore
1809819 PubMed citation CiteXplore
9533428 PubMed citation CiteXplore
IND44599608 Agricola citation CiteXplore
Last Modified
29 April 2014