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CHEBI:17251 - pentalenene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pentalenene
ChEBI ID CHEBI:17251
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7975, CHEBI:14747, CHEBI:25885, CHEBI:58076
Supplier Information
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Formulae C15H24
C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.188
InChI InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKey YGIVIHRLDOVJLL-GUIRCDHDSA-N
SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)CC[C@@]1([H])C(C)=C2
ChEBI Ontology
Outgoing pentalenene (CHEBI:17251) is a ortho-fused tricyclic hydrocarbon (CHEBI:37089)
pentalenene (CHEBI:17251) is a sesquiterpene (CHEBI:35189)
Incoming 1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) has functional parent pentalenene (CHEBI:17251)
1-deoxy-11-oxopentalenic acid (CHEBI:70797) has functional parent pentalenene (CHEBI:17251)
1-deoxypentalenic acid (CHEBI:68832) has functional parent pentalenene (CHEBI:17251)
pentalen-13-al (CHEBI:63244) has functional parent pentalenene (CHEBI:17251)
pentalen-13-ol (CHEBI:63243) has functional parent pentalenene (CHEBI:17251)
pentalenic acid (CHEBI:68665) has functional parent pentalenene (CHEBI:17251)
IUPAC Name
(1R,3aS,5aS,8aR)-1,4,7,7-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
Synonyms Sources
(+)-pentalenene ChEBI
(1alpha,3a alpha,5a beta,8aR*)-1,2,3,3a,5a,6,7,8-octahydro-1,4,7,7-tetramethylcyclopenta(c)pentalene ChEBI
(1R,3aS,5aS,8aR)-1,2,3,3a,5a,6,7,8-octahydro-1,4,7,7-tetramethylcyclopenta[c]pentalene IUBMB
pentalenene UniProt
Pentalenene KEGG COMPOUND
Database Links Databases
C00021799 KNApSAcK
C01841 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3603613 Reaxys Registry Number Reaxys
73306-73-7 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014