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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene
ChEBI ID CHEBI:178730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H52
Net Charge 0
Average Mass 532.856
Monoisotopic Mass 532.40690
InChI InChI=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+
InChIKey BKZTVLROJALEDI-JLTXGRSLSA-N
SMILES C1(CC=CC(=C1\C=C\C(\C)=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(CC=CC2C)(C)C)/C)/C)\C)C)(C)C
ChEBI Ontology
Outgoing 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 Xrefs Databases
24823138 ChemSpider
LMPR01070022 LIPID MAPS
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