Lycopene
precursor
Showing entry for Lycopene
Identification
- PhytoHub ID
- PHUB000363
- Name
- Lycopene
- Systematic Name
- Not Available
- Synonyms
- all-trans lycopene
- CAS Number
- Not Available
- Average Mass
- 536.888
- Monoisotopic Mass
- 536.438201803
- Chemical Formula
- C40H56
- IUPAC Name
- (6E,8E,10E,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
- InChI Key
- OAIJSZIZWZSQBC-BOJOQWLHSA-N
- InChI Identifier
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+
- SMILES
CC(C)=CCC\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)CCC=C(C)C
- Structure
Structure for Lycopene
Calculated Properties
- Solubility (ALOGPS)
- 3.97e-04 g/l
- LogS (ALOGPS)
- -6.13
- LogP (ALOGPS)
- 9.16
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 16
- Polar Surface Area
- 0.0
- Refractivity
- 197.80600000000007
- Polarizability
- 72.50914158500649
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 15948
- ChEBI
- 62466
- PubChem
- 446925
- Chemistry Dashboard
- DTXSID2046593
- KNApSAcK
- C00000911
- MetaboLights
- MTBLC15948
- Exposome Explorer
- 86
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Tetraterpenoids
- Direct Parent Name
- Carotenes
- Alternative Parent Names
- ["Acyclic olefins", "Branched unsaturated hydrocarbons", "Unsaturated aliphatic hydrocarbons"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Acyclic olefin", "Aliphatic acyclic compound", "Branched unsaturated hydrocarbon", "Carotene", "Hydrocarbon", "Olefin", "Unsaturated aliphatic hydrocarbon", "Unsaturated hydrocarbon"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,2.507052213);(43.05422362,1.324983176);(55.05422362,2.306129671);(56.06204822,0.7399456079);(67.05422362,2.908806743);(68.06204822,0.8435828336);(69.06987282,4.500844482);(81.06987282,0.7907404811);(83.08552202,1.358100749);(109.1011712,1.364690437);(175.1481188,1.193467823);(177.163768,0.7581955409);(241.1950664,1.128580394);(243.2107156,0.716974957);(295.242014,0.8492828696);(321.2576632,0.810879329);(361.2889616,0.8038255983);(387.3046108,0.7676563317);(427.3359092,0.721453804);(451.3359092,0.9508754115);(453.3515584,3.278178331);(454.3549647,1.269783294);(465.3515584,2.083444394);(466.3549633,0.8303319612);(467.3672076,4.023100383);(468.3706147,1.604565876);(493.3828568,1.10409005);(495.398506,0.7874547106);(520.4063306,1.393393254);(521.4141552,6.481665562);(522.4175629,2.881190712) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (55.05422664,1.084963476);(69.06987671,1.04730684);(109.1011768,1.636798623);(111.1168269,1.230423443);(123.1168269,1.025152181);(135.1168269,1.579124173);(137.132477,1.247035173);(175.148127,1.651588369);(177.1637771,1.230423443);(189.1637771,1.048210551);(201.1637771,1.579124173);(203.1794272,1.247035173);(241.1950772,1.651588369);(243.2107273,1.230423443);(255.2107273,1.048210551);(281.2263773,1.052840524);(293.2263773,1.135454229);(331.2420274,1.03458344);(333.2576775,2.143694565);(347.2733275,1.052840524);(359.2733275,1.135454229);(397.2889776,1.03458344);(399.3046277,2.143694565);(401.3202777,1.019683284);(413.3202777,1.052840524);(425.3202777,1.135454229);(467.3672279,1.048210551);(481.382878,1.052840524);(493.382878,3.342633177);(495.3985281,3.065061617);(537.4454782,25.79355633) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (55.05422664,2.395047321);(69.06987671,1.716420819);(107.0855268,1.505300471);(109.1011768,1.119954639);(123.1168269,1.567318712);(133.1011768,1.737825122);(135.1168269,1.932985491);(173.132477,1.965775009);(175.148127,1.229709883);(189.1637771,1.874802413);(199.148127,2.195721501);(201.1637771,1.932985491);(239.1794272,1.965775009);(241.1950772,1.229709883);(255.2107273,1.874802413);(265.1950772,1.102756853);(281.2263773,1.778768364);(293.2263773,1.342659024);(331.2420274,2.823928991);(333.2576775,2.122822719);(335.2733275,1.54231244);(347.2733275,1.778768364);(359.2733275,1.342659024);(397.2889776,2.823928991);(399.3046277,2.122822719);(401.3202777,1.54231244);(413.3202777,1.778768364);(425.3202777,1.342659024);(467.3672279,1.874802413);(481.382878,1.778768364);(537.4454782,2.076193923) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (53.03857658,1.364130592);(55.05422664,5.016974709);(67.05422664,1.878328312);(111.1168269,1.209634041);(135.1168269,1.689660276);(137.132477,1.249521264);(173.132477,1.326062293);(175.148127,2.171073116);(189.1637771,1.918260122);(199.148127,1.233001929);(201.1637771,1.689660276);(203.1794272,1.249521264);(239.1794272,1.326062293);(241.1950772,2.171073116);(255.2107273,1.918260122);(281.2263773,2.120199714);(319.2420274,1.747085321);(321.2576775,1.756470449);(331.2420274,1.239891888);(333.2576775,1.754772974);(347.2733275,2.120199714);(385.2889776,1.747085321);(387.3046277,1.756470449);(397.2889776,1.239891888);(399.3046277,1.754772974);(413.3202777,2.120199714);(451.3359278,1.747085321);(453.3515779,1.756470449);(467.3672279,1.918260122);(481.382878,2.120199714);(521.4141781,1.35007604) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (175.1492242,0.2833292242);(241.1961744,0.2833292242);(493.3839751,0.3505910547);(495.3996252,0.4629403295);(519.3996252,0.3831974526);(535.4309253,91.28710912) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (111.1179241,0.7384993002);(137.1335741,0.8705346424);(177.1648743,0.7384993002);(203.1805243,0.8705346424);(243.2118244,0.7384993002);(333.2587746,0.7733122436);(335.2744247,0.8998867341);(399.3057248,0.7733122436);(401.3213749,0.8998867341);(493.3839751,1.991400829);(495.3996252,2.080106149);(519.3996252,1.046398025);(535.4309253,68.06367982) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (55.0553238,2.182536561);(107.0866239,1.419821065);(109.102274,1.369037011);(111.1179241,1.259620973);(123.1179241,1.425306651);(135.1179241,1.653313375);(175.1492242,1.369037011);(177.1648743,1.259620973);(187.1492242,1.191277114);(189.1648743,2.182536561);(201.1648743,1.653313375);(241.1961744,1.369037011);(243.2118244,1.259620973);(253.1961744,1.191277114);(255.2118244,2.182536561);(267.2118244,1.44999554);(293.2274745,1.403910954);(321.2587746,1.365919408);(331.2431246,1.293702886);(333.2587746,3.084286902);(335.2744247,1.449943435);(359.2744247,1.403910954);(387.3057248,1.365919408);(397.2900748,1.293702886);(399.3057248,3.084286902);(401.3213749,1.449943435);(425.3213749,1.403910954);(453.352675,1.365919408);(467.3683251,2.182536561);(519.3996252,11.44674416);(535.4309253,1.691625113) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cherry tomato | Vegetables, Fruit vegetables | Publications | Show | |
| Fig | Fruit, Other fruits | Publications | Show | |
| Guava | Fruit, Tropical fruits | Publications | Show | |
| Ketchup | Condiments and seasonings | Publications | Show | |
| Mango | Fruit, Tropical fruits | Publications | Show | |
| Papaya | Fruit, Tropical fruits | Publications | Show | |
| Persimmon | Herbs and Spices | Publications | Show | |
| Pineapple | Fruit, Tropical fruits | Publications | Show | |
| Pumpkin | Vegetables, Gourds | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Publications | Show | |
| tomato sauce | Vegetables, Fruit vegetables | Show | ||
| Watermelon | Vegetables, Gourds | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available