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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:78306 - ambrein
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ChEBI Ontology
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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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Read full article at Wikipedia
Formula
C30H52O
Net Charge
0
Average Mass
428.73330
Monoisotopic Mass
428.40182
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.
View more via ChEBI Ontology
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
(1
R
,2
R
,4a
S
,8a
S
)-
1-
{(3
E
)-
6-
[(1
S
)-
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
Manual Xref
Database
Ambrein
Wikipedia
View more database links
Registry Numbers
Types
Sources
3655411
Reaxys Registry Number
Reaxys
473-03-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11758796
PubMed citation
Europe PMC
1479744
PubMed citation
Europe PMC
1809819
PubMed citation
Europe PMC
9533428
PubMed citation
Europe PMC
IND44599608
Agricola citation
Europe PMC
Last Modified
29 April 2014