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
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Formula C40H54
Net Charge 0
Average Mass 534.85680
Monoisotopic Mass 534.423
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)
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
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Registry Numbers Types Sources
2489040 Reaxys Registry Number Reaxys
547-23-9 CAS Registry Number ChemIDplus
Citations Waiting for 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
28 July 2014