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> Main
CHEBI:88123 - (
R
)-12-hydroxysqualene
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ChEBI Name
(
R
)-12-hydroxysqualene
ChEBI ID
CHEBI:88123
ChEBI ASCII Name
(R)-12-hydroxysqualene
Definition
A triterpenoid that is squalene substituted at position 12 by a hydroxy group (the
R
-enantiomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C30H50O
Net Charge
0
Average Mass
426.719
Monoisotopic Mass
426.38617
InChI
InChI=1S/C30H50O/c1-
24(2)
13-
9-
15-
26(5)
17-
11-
19-
28(7)
21-
22-
30(31)
23-
29(8)
20-
12-
18-
27(6)
16-
10-
14-
25(3)
4/h13-
14,17-
18,21,23,30-
31H,9-
12,15-
16,19-
20,22H2,1-
8H3/b26-
17+,27-
18+,28-
21+,29-
23+/t30-
/m1/s1
InChIKey
IBTBZLYRNUPSAW-HWKIJRFISA-N
SMILES
C(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-12-hydroxysqualene (
CHEBI:88123
)
has parent hydride
squalene (
CHEBI:15440
)
(
R
)-12-hydroxysqualene (
CHEBI:88123
)
has role
bacterial metabolite (
CHEBI:76969
)
(
R
)-12-hydroxysqualene (
CHEBI:88123
)
is a
secondary alcohol (
CHEBI:35681
)
(
R
)-12-hydroxysqualene (
CHEBI:88123
)
is a
triterpenoid (
CHEBI:36615
)
IUPAC Name
(6
E
,10
E
,12
R
,14
E
,18
E
)-
2,6,10,15,19,23-
hexamethyltetracosa-
2,6,10,14,18,22-
hexaen-
12-
ol
Synonyms
Sources
(12
R
)-hydroxysqualene
ChEBI
hydroxysqualene
UniProt
Manual Xref
Database
CPD-18508
MetaCyc
View more database links
Registry Number
Type
Source
7256007
Reaxys Registry Number
Reaxys
Citation
Type
Source
26258173
PubMed citation
SUBMITTER
Last Modified
02 November 2015