Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003348

Phytochemical name: Lycopene

Synonymous chemical names:
lycopene (responsible for the red colour), lycopene, all-trans, lycopene

External chemical identifiers:
CID:CID_446925, ChEMBL:CHEMBL501174, ChEBI:CHEBI:15948, ZINC:ZINC000008214943, FDASRS:SB0N2N0WV6, SureChEMBL:SCHEMBL20158, MolPort-001-790-546

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Chemical structure information

SMILES:
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(/C=C/C=C(/CCC=C(C)C)\C)\C

InChI:
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey:
OAIJSZIZWZSQBC-GYZMGTAESA-N

DeepSMILES:
C/C=C\C=C\C=C\C=C\C=C\C=C\C=C\CCC=CC)C)))))/C)))))/C)))))/C))))))/C=C/C=C/C=C/C=C/CCC=CC)C)))))\C)))))\C

Functional groups:
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=C(/C)C, CC=C(C)C

Link to spectral information:
MSBNK-MSSJ-MSJ00131, MSBNK-MSSJ-MSJ00130, MSBNK-Kyoto_Univ-CA000154

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Tetraterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Carotenoids (C40)

NP Classifier Class: Carotenoids (C40, Ψ-Ψ)

NP-Likeness score: 1.083

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Chemical structure download