CHEBI:9638 - torulene

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ChEBI Name torulene ChEBI ID CHEBI:9638 Definition A carotene that is β,ψ-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H54 Net Charge 0 Average Mass 534.85680 Monoisotopic Mass 534.42255 InChI InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+ InChIKey AIBOHNYYKWYQMM-MXBSLTGDSA-N SMILES CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ChEBI Ontology Outgoing torulene (CHEBI:9638) is a carotene (CHEBI:23042) torulene (CHEBI:9638) is a polyene (CHEBI:48121) Incoming 1'-hydroxytorulene (CHEBI:80134) has parent hydride torulene (CHEBI:9638) IUPAC Name (3'E)-3',4'-didehydro-β,ψ-carotene Synonym Source torulene UniProt Manual Xrefs Databases C00003786 KNApSAcK C08613 KEGG COMPOUND CPD-7953 MetaCyc View more database links Registry Numbers Types Sources 2489040 Reaxys Registry Number Reaxys 547-23-9 CAS Registry Number ChemIDplus Citations Types Sources 1475263 PubMed citation Europe PMC 15168092 PubMed citation Europe PMC 17493127 PubMed citation Europe PMC 17610084 PubMed citation Europe PMC 17898860 PubMed citation Europe PMC 18812228 PubMed citation Europe PMC 18982370 PubMed citation Europe PMC 20002186 PubMed citation Europe PMC Last Modified 05 February 2019