EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138219 - ent-atiserene

ChEBI IDCHEBI:138219
ChEBI Nameent-atiserene
Stars
ASCII Nameent-atiserene
DefinitionA diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16.
Last Modified20 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12C[C@@H]3CC[C@@]1(CC[C@]1([H])C(C)(C)CCC[C@@]21C)CC3=C
InChIInChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1
InChIKeyLFRRHLVVLXYROS-YQXATGRUSA-N
Species of MetaboliteComponentSourceComments
Araucaria araucana (ncbitaxon:42754) - DOI (10.1016/0040-4020(75)80175-X) Found in essential oil
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)
ent-atiserene (CHEBI:138219) has role plant metabolite (CHEBI:76924)
ent-atiserene (CHEBI:138219) is a diterpene (CHEBI:35190)
ent-atiserene (CHEBI:138219) is a olefinic compound (CHEBI:78840)
ent-atiserene (CHEBI:138219) is a polycyclic hydrocarbon (CHEBI:33666)
IUPAC Name 
(5β,8α,9β,10α,12α)-atis-16-ene
Synonyms  Source
ent-atiser-16-eneChEBI
(−)-atisireneChEBI
UniProt Name  Source
ent-atisereneUniProt
Manual XrefsDatabases
CPD-20256MetaCyc
C00000879KNApSAcK
Registry NumbersSources
Reaxys:2559115Reaxys
CAS:20230-48-2KNApSAcK
CAS:20230-48-2NIST Chemistry WebBook
Citations