EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178730 - Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene

ChEBI IDCHEBI:178730
ChEBI NameBisdehydro-beta-carotene/ Tetradehydro-beta-carotene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52
Net Charge0
Average Mass532.856
Monoisotopic Mass532.40690
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C=CCC2(C)C)C(C)(C)CC=C1
InChIInChI=1S/C40H52/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-28H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKeyBKZTVLROJALEDI-JLTXGRSLSA-N
ChEBI Ontology
Outgoing Relation(s)
Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene (CHEBI:178730) is a carotenoid (CHEBI:23044)
IUPAC Name 
2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexa-1,3-diene
Manual XrefsDatabases
24823138ChemSpider
LMPR01070022LIPID MAPS