EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:5760 - hopane-29-acetate

ChEBI IDCHEBI:5760
ChEBI Namehopane-29-acetate
Stars
DefinitionA hopanoid that is hopane substituted by an acetoxy group at position 29.
Last Modified27 May 2015
DownloadsMolfile
FormulaC32H54O2
Net Charge0
Average Mass470.782
Monoisotopic Mass470.41238
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)CCC[C@]34C)[C@]1(C)CC[C@@]1([H])[C@@H](C(C)COC(C)=O)CC[C@]21C
InChIInChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChIKeyQSIMBUYUBYRBSU-ALPBESCQSA-N
Species of MetaboliteComponentSourceComments
Polypodium niponicum (ncbitaxon:253747) - DOI (10.1016/S0031-9422(00)80275-7)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
hopane-29-acetate (CHEBI:5760) has role plant metabolite (CHEBI:76924)
hopane-29-acetate (CHEBI:5760) is a acetate ester (CHEBI:47622)
hopane-29-acetate (CHEBI:5760) is a hopanoid (CHEBI:51963)
hopane-29-acetate (CHEBI:5760) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(22R)-hopan-30-yl acetate
Synonyms  Source
dryocrassyl acetateChEBI
hopane-30-yl acetateChEBI
Manual XrefsDatabases
C08627KEGG COMPOUND
C00003748KNApSAcK
LMPR04000003LIPID MAPS
Registry NumbersSources
Reaxys:7348358Reaxys
CAS:58193-25-2KEGG COMPOUND