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> Main
CHEBI:63243 - pentalen-13-ol
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ChEBI Name
pentalen-13-ol
ChEBI ID
CHEBI:63243
Definition
A tricyclic triterpenoid that is pentalenene in which one of the hydrogens of the allylic methyl group is substituted by a hydroxy group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24O
Net Charge
0
Average Mass
220.35050
Monoisotopic Mass
220.18272
InChI
InChI=1S/C15H24O/c1-
10-
4-
5-
13-
11(8-
16)
6-
12-
7-
14(2,3)
9-
15(10,12)
13/h6,10,12-
13,16H,4-
5,7-
9H2,1-
3H3/t10-
,12-
,13+,15-
/m1/s1
InChIKey
UUWZJPBRBCIXLA-IKVITTDRSA-N
SMILES
[H][C@@]12CC(C)(C)C[C@@]11[C@H](C)CC[C@@]1([H])C(CO)=C2
ChEBI Ontology
Outgoing
pentalen-13-ol (
CHEBI:63243
)
has functional parent
pentalenene (
CHEBI:17251
)
pentalen-13-ol (
CHEBI:63243
)
is a
primary alcohol (
CHEBI:15734
)
pentalen-13-ol (
CHEBI:63243
)
is a
sesquiterpenoid (
CHEBI:26658
)
IUPAC Name
[(1
R
,3a
R
,5a
S
,8a
R
)-
1,7,7-
trimethyl-
1,2,3,3a,5a,6,7,8-
octahydrocyclopenta[
c
]pentalen-
4-
yl]methanol
Synonym
Source
pentalen-13-ol
UniProt
Citation
Type
Source
17017767
PubMed citation
Europe PMC
Last Modified
09 October 2012