hop-17(21)-ene (CHEBI:132466)

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CHEBI:132466 - hop-17(21)-ene

ChEBI ID	CHEBI:132466
ChEBI Name	hop-17(21)-ene
Stars
Definition	A triterpene consisting of hopane having a C=C double bond at the 17(21)-position.
Last Modified	9 November 2016
Submitter	gemma
Downloads	Molfile

Formula	C30H50
Net Charge	0
Average Mass	410.730
Monoisotopic Mass	410.39125
SMILES	[H][C@]12CC[C@@]3([H])[C@@](C)(CCC4=C(C(C)C)CC[C@@]43C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChI	InChI=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/h20,23-25H,9-19H2,1-8H3/t23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey	BJFPMDGPOFJGIR-WWJAXWOYSA-N

Species of Metabolite	Component	Source	Comments
Zymomonas mobilis (ncbitaxon:542)	-	PubMed (11377875)
Colysis pothifolia (ncbitaxon:493398)	-	PubMed (26731047)

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	hop-17(21)-ene (CHEBI:132466) has parent hydride hopane (CHEBI:36482)
	hop-17(21)-ene (CHEBI:132466) has role bacterial metabolite (CHEBI:76969)
	hop-17(21)-ene (CHEBI:132466) has role plant metabolite (CHEBI:76924)
	hop-17(21)-ene (CHEBI:132466) is a triterpene (CHEBI:35191)
Incoming Relation(s)
Incoming Relation(s)	2β-methylhop-17(21)-ene (CHEBI:132467) has functional parent hop-17(21)-ene (CHEBI:132466)

IUPAC Name
hop-17(21)-ene

Synonym	Source
A'-Neogammacer-17(21)-ene	ChemIDplus

Registry Numbers	Sources
Reaxys:2420300	Reaxys
CAS:546-99-6	ChemIDplus

Citations