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CHEBI:132464 - hop-21(22)-ene

ChEBI IDCHEBI:132464
ChEBI Namehop-21(22)-ene
Stars
DefinitionA triterpene consisting of hopane having a C=C double bond at the 21-position.
Last Modified8 November 2016
Submittergemma
DownloadsMolfile
FormulaC30H50
Net Charge0
Average Mass410.730
Monoisotopic Mass410.39125
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(=C(C)C)CC[C@]21C
InChIInChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKeyCBZFLMNNXKRPHN-DRTOFSRZSA-N
Species of MetaboliteComponentSourceComments
Rhodopseudomonas palustris (ncbitaxon:1076) - PubMed (20421508)
Geobacter metallireducens (ncbitaxon:28232) - PubMed (15668001)
Zymomonas mobilis (ncbitaxon:542) - PubMed (11377875)
Geobacter sulfurreducens (ncbitaxon:35554) - PubMed (15668001)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
hop-21(22)-ene (CHEBI:132464) has parent hydride hopane (CHEBI:36482)
hop-21(22)-ene (CHEBI:132464) has role bacterial metabolite (CHEBI:76969)
hop-21(22)-ene (CHEBI:132464) is a triterpene (CHEBI:35191)
Incoming Relation(s)
2β-methylhop-21-ene (CHEBI:132465) has functional parent hop-21(22)-ene (CHEBI:132464)
IUPAC Name 
hop-21-ene
Registry NumbersSources
Reaxys:2390482Reaxys
Citations