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CHEBI:138227 - β-hexaprene
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ChEBI Ontology
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ChEBI Name
β-hexaprene
ChEBI ID
CHEBI:138227
ChEBI ASCII Name
beta-hexaprene
Definition
An acyclic triterpene that is 3-methylidenetetracosa-1,6,10,14,18,22-hexaene carrying five methyl substituents at positions 7, 11, 15, 19 and 23 (the all-
E
geoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C30H48
Net Charge
0
Average Mass
408.703
Monoisotopic Mass
408.37560
InChI
InChI=1S/C30H48/c1-
9-
26(4)
16-
11-
18-
28(6)
20-
13-
22-
30(8)
24-
14-
23-
29(7)
21-
12-
19-
27(5)
17-
10-
15-
25(2)
3/h9,15,18-
19,22-
23H,1,4,10-
14,16-
17,20-
21,24H2,2-
3,5-
8H3/b27-
19+,28-
18+,29-
23+,30-
22+
InChIKey
HVNMFMZGDPZXND-ICZYJQKRSA-N
SMILES
CC(=CCC/C(/C)=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)C
Metabolite of Species
Details
Bacillus clausii
(NCBI:txid79880)
See:
PubMed
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
β-hexaprene (
CHEBI:138227
)
has functional parent
trans
-β-farnesene (
CHEBI:10418
)
β-hexaprene (
CHEBI:138227
)
has role
bacterial metabolite (
CHEBI:76969
)
β-hexaprene (
CHEBI:138227
)
is a
polyene (
CHEBI:48121
)
β-hexaprene (
CHEBI:138227
)
is a
triterpene (
CHEBI:35191
)
IUPAC Name
(6
E
,10
E
,14
E
,18
E
)-
7,11,15,19,23-
pentamethyl-
3-
methylidenetetracosa-
1,6,10,14,18,22-
hexaene
Synonym
Source
beta
-hexaprene
UniProt
Manual Xref
Database
CPD-20442
MetaCyc
View more database links
Registry Number
Type
Source
28283699
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23554321
PubMed citation
SUBMITTER
25882275
PubMed citation
SUBMITTER
Last Modified
30 October 2017