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 ChemicalBook:CB6446138, eMolecules:481831, ZINC000000156709
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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