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

ChEBI IDCHEBI:70861
ChEBI Name3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
Stars
DefinitionA triterpenoid obtained by methylation at positions 3 and 22 of squalene with concomitant double bond migration.
Last Modified6 November 2012
SubmitterKAX
DownloadsMolfile
FormulaC32H54
Net Charge0
Average Mass438.784
Monoisotopic Mass438.42255
SMILESC=C(C)C(C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(C)C(=C)C
InChIInChI=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+
InChIKeyLYHFPFHWBXEUPX-AHFVBISTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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
UniProt Name  Source
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualeneUniProt
Manual XrefsDatabases
CPD-14264MetaCyc
Registry NumbersSources
Reaxys:10395594Reaxys
Citations