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CHEBI:138305 - (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol

ChEBI IDCHEBI:138305
ChEBI Name(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol
Stars
ASCII Name(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3beta-ol
DefinitionA triterpenoid that is an intermediate in the biosynthesis of α-onocerin by the fern Lycopodium clavatum.
Last Modified13 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@@]12CCC(=C)[C@H](CC/C=C(\C)CC/C=C(\C)CC[C@@H]3OC3(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O2/c1-21(11-9-12-22(2)15-18-27-29(6,7)32-27)13-10-14-24-23(3)16-17-25-28(4,5)26(31)19-20-30(24,25)8/h12-13,24-27,31H,3,9-11,14-20H2,1-2,4-8H3/b21-13+,22-12+/t24-,25-,26-,27-,30+/m0/s1
InChIKeyYOXYJGZFQYXPHZ-AEBUGLRVSA-N
Species of MetaboliteComponentSourceComments
Lycopodium clavatum (ncbitaxon:3252) - PubMed (26663356)
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)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) has role plant metabolite (CHEBI:76924)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a carbobicyclic compound (CHEBI:36785)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a epoxide (CHEBI:32955)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a olefinic compound (CHEBI:78840)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a secondary alcohol (CHEBI:35681)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-dimethyloxiran-2-yl]-4,8-dimethyldeca-3,7-dien-1-yl}-1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol
Synonym  Source
polypoda-8(26),13,17-trien-21,22-epoxy-3β-olChEBI
UniProt Name  Source
pre-α-onocerinUniProt
Manual XrefsDatabases
CPD-20474MetaCyc
Registry NumbersSources
Reaxys:29170306Reaxys
Citations