CHEBI:17251 - pentalenene

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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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C15H24 C15H24 Net Charge 0 Average Mass 204.35110 Monoisotopic Mass 204.18780 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 Manual Xrefs 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