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> Main
CHEBI:132464 - hop-21(22)-ene
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ChEBI Ontology
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ChEBI Name
hop-21(22)-ene
ChEBI ID
CHEBI:132464
Definition
A triterpene consisting of hopane having a C=C double bond at the 21-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Gemma Holliday
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Formula
C30H50
Net Charge
0
Average Mass
410.719
Monoisotopic Mass
410.39125
InChI
InChI=1S/C30H50/c1-
20(2)
21-
12-
17-
27(5)
22(21)
13-
18-
29(7)
24(27)
10-
11-
25-
28(6)
16-
9-
15-
26(3,4)
23(28)
14-
19-
30(25,29)
8/h22-
25H,9-
19H2,1-
8H3/t22-
,23-
,24+,25+,27-
,28-
,29+,30+/m0/s1
InChIKey
CBZFLMNNXKRPHN-DRTOFSRZSA-N
SMILES
C1CCC([C@]
2([C@]
1([C@@]
3([C@@]
(CC2)
([C@]
4([C@@]
(CC3)
([H]
)
[C@]
5(CCC([C@]
5([H]
)
CC4)
=C(C)
C)
C)
C)
C)
[H]
)
C)
[H]
)
(C)
C
Metabolite of Species
Details
Rhodopseudomonas palustris
(NCBI:txid1076)
See:
PubMed
Geobacter metallireducens
(NCBI:txid28232)
See:
PubMed
Geobacter sulfurreducens
(NCBI:txid35554)
See:
PubMed
Zymomonas mobilis
(NCBI:txid542)
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
hop-21(22)-ene (
CHEBI:132464
)
has parent hydride
hopane (
CHEBI:36482
)
hop-21(22)-ene (
CHEBI:132464
)
has role
bacterial metabolite (
CHEBI:76969
)
hop-21(22)-ene (
CHEBI:132464
)
is a
triterpene (
CHEBI:35191
)
Incoming
2β-methylhop-21-ene (
CHEBI:132465
)
has functional parent
hop-21(22)-ene (
CHEBI:132464
)
IUPAC Name
hop-21-ene
Registry Number
Type
Source
2390482
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11377875
PubMed citation
Europe PMC
15056909
PubMed citation
Europe PMC
15668001
PubMed citation
Europe PMC
20421508
PubMed citation
SUBMITTER
Last Modified
08 November 2016