CHEBI:70861 - 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene

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ChEBI Name 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
ChEBI ID CHEBI:70861
Definition A triterpenoid obtained by methylation at positions 3 and 22 of squalene with concomitant double bond migration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H54
Net Charge 0
Average Mass 438.77120
Monoisotopic Mass 438.42255
InChI InChI=1S/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+
InChIKey LYHFPFHWBXEUPX-AHFVBISTSA-N
SMILES CC(CC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(C)C(C)=C)C(C)=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene (CHEBI:70861) has functional parent squalene (CHEBI:15440)
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene (CHEBI:70861) has role metabolite (CHEBI:25212)
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene (CHEBI:70861) is a triterpenoid (CHEBI:36615)
IUPAC Name
(6E,10E,14E,18E)-2,3,6,10,15,19,22,23-octamethyltetracosa-1,6,10,14,18,23-hexaene
Synonym Source
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene UniProt
Manual Xref Database
CPD-14264 MetaCyc
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Registry Number Type Source
10395594 Reaxys Registry Number Reaxys
Citation Waiting for Citations
Last Modified
06 November 2012