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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:36484 - hopan-22-ol
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ChEBI Name
hopan-22-ol
ChEBI ID
CHEBI:36484
Definition
A hopanoid that is hopane substituted by a hydroxy group at position 22.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14411, CHEBI:4649
Supplier Information
Download
Molfile
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Molfile
Formula
C30H52O
Net Charge
0
Average Mass
428.73328
Monoisotopic Mass
428.40182
InChI
InChI=1S/C30H52O/c1-
25(2)
15-
9-
16-
28(6)
22(25)
14-
19-
30(8)
24(28)
11-
10-
23-
27(5)
17-
12-
20(26(3,4)
31)
21(27)
13-
18-
29(23,30)
7/h20-
24,31H,9-
19H2,1-
8H3/t20-
,21-
,22-
,23+,24+,27-
,28-
,29+,30+/m0/s1
InChIKey
PNJBOAVCVAVRGR-UDCAXGDQSA-N
SMILES
[H]
[C@@]
12CC[C@]
3(C)
[C@]
([H]
)
(CC[C@]
4([H]
)
[C@@]
5(C)
CCCC(C)
(C)
[C@]
5([H]
)
CC[C@@]
34C)
[C@@]
1(C)
CC[C@@H]
2C(C)
(C)
O
Metabolite of Species
Details
Lepisorus contortus
(NCBI:txid699669)
Found in whole plant
(BTO:0001461)
. 95% EtOH extract of air-dried, powdered whole plant See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hopan-22-ol (
CHEBI:36484
)
has role
plant metabolite (
CHEBI:76924
)
hopan-22-ol (
CHEBI:36484
)
is a
hopanoid (
CHEBI:51963
)
hopan-22-ol (
CHEBI:36484
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
hopan-22-ol (
CHEBI:36484
)
is a
tertiary alcohol (
CHEBI:26878
)
Incoming
2β-methylhopan-22-ol (
CHEBI:132462
)
has functional parent
hopan-22-ol (
CHEBI:36484
)
IUPAC Name
hopan-22-ol
Synonyms
Sources
22-Hopanol
KEGG COMPOUND
22-hydroxyhopane
ChemIDplus
29,29-dimethyl-21,30-dinorgammaceran-29-ol
IUPAC
A'-neogammaceran-22-ol
ChemIDplus
Diplopterol
KEGG COMPOUND
Hopan-22-ol
KEGG COMPOUND
hopan-22-ol
UniProt
Manual Xrefs
Databases
C06309
KEGG COMPOUND
LMPR04000002
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1721-59-1
CAS Registry Number
KEGG COMPOUND
1721-59-1
CAS Registry Number
ChemIDplus
2566100
Beilstein Registry Number
Beilstein
Citation
Type
Source
21261296
PubMed citation
Europe PMC
Last Modified
08 November 2016