CHEBI:228998 - 3,4-Dehydrolycopen-16-al

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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 3,4-Dehydrolycopen-16-al
ChEBI ID CHEBI:228998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H52O
Net Charge 0
Average Mass 548.855
Monoisotopic Mass 548.40182
InChI InChI=1S/C40H52O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-20,22-32H,12,21H2,1-9H3/b11-10+,22-13-,23-14-,27-15+,28-16+,30-17-,34-19+,35-20+,36-24+,37-25-,38-26-,39-29+,40-31+
InChIKey FPLASDSFNINBIY-QETLVAEPSA-N
SMILES O=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(\CCC=C(C)C)/C)/C)/C)\C)\C)\C)/C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4-Dehydrolycopen-16-al (CHEBI:228998) is a xanthophyll (CHEBI:27325)
IUPAC Name
(2E,4Z,6E,8E,10Z,12Z,14E,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaenal
Manual Xref Database
4475512 ChemSpider
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