CHEBI:5760 - hopane-29-acetate

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ChEBI Name hopane-29-acetate
ChEBI ID CHEBI:5760
Definition A hopanoid that is hopane substituted by an acetoxy group at position 29.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H54O2
Net Charge 0
Average Mass 470.77000
Monoisotopic Mass 470.41238
InChI InChI=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
InChIKey QSIMBUYUBYRBSU-ALPBESCQSA-N
SMILES CC(COC(C)=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
Metabolite of Species Details
Polypodium niponicum (NCBI:txid253747) See: DOI
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 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 Sources
dryocrassyl acetate ChEBI
hopane-30-yl acetate ChEBI
Manual Xrefs Databases
C00003748 KNApSAcK
C08627 KEGG COMPOUND
LMPR04000003 LIPID MAPS
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Registry Numbers Types Sources
58193-25-2 CAS Registry Number KEGG COMPOUND
7348358 Reaxys Registry Number Reaxys
Last Modified
27 May 2015