Zeaxanthin
precursor
Showing entry for Zeaxanthin
Identification
- PhytoHub ID
- PHUB000370
- Name
- Zeaxanthin
- Systematic Name
- Not Available
- Synonyms
- (3R,3'R)-dihydroxy-β,β-carotene
- (3R,3'R)-β,β-carotene-3,3'-diol
- anchovyxanthin
- β,β-carotene-3,3'-diol
- CAS Number
- 144-68-3
- Average Mass
- 568.886
- Monoisotopic Mass
- 568.428031043
- Chemical Formula
- C40H56O2
- IUPAC Name
- (1R)-4-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
- InChI Key
- JKQXZKUSFCKOGQ-PWPFSTEPSA-N
- InChI Identifier
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t35-,36-/m1/s1
- SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
- Structure
Structure for Zeaxanthin
Calculated Properties
- Solubility (ALOGPS)
- 6.49e-04 g/l
- LogS (ALOGPS)
- -5.94
- LogP (ALOGPS)
- 8.30
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 10
- Polar Surface Area
- 40.46
- Refractivity
- 194.95080000000004
- Polarizability
- 72.69150012253526
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.7887548611967237
- pKa (strongest acidic)
- 18.907213404525137
- Number of Rings
- 2
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 27547
- PubChem
- 5280899
- Chemistry Dashboard
- DTXSID5046807
- MetaboLights
- MTBLC27547
- FooDB (Compounds)
- FDB019865
- Exposome Explorer
- 85
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
- Xanthophylls
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aliphatic homomonocyclic compound", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol", "Xanthophyll"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.151082217);(41.03857442,1.935239885);(55.05422362,0.7546456819);(71.04913772,0.8859381593);(85.06478692,2.082993859);(137.0960853,0.7136240032);(191.1430329,1.012957421);(257.1899805,0.9579783619);(311.2369281,0.7209550884);(467.3308233,1.386794337);(481.3464725,1.39863884);(482.3542971,0.9821373213);(483.3621217,0.722569448);(497.3777709,0.8791393714);(509.3777709,1.297769458);(511.3570358,1.097152452);(522.3855955,0.7680846356);(523.3934201,2.836519201);(524.3968279,1.229332911);(524.4012447,2.419436712);(525.4046534,1.048934464);(525.4090693,1.024264034);(537.4090693,1.497487352);(538.4168939,1.045431116);(550.4168939,1.868834178);(551.4203019,0.8526234217);(551.4247185,1.755019184);(552.3961588,1.189137981);(552.4281275,0.8009605824);(553.4039834,6.7978005);(554.4073925,3.026814138) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.03857442,1.067770531);(73.04679982,2.824361219);(85.06478692,1.031564333);(89.04171392,1.158417647);(90.04953852,0.6174022192);(91.05736312,0.5752916669);(143.0886615,0.8183545497);(157.1043107,0.8753819215);(191.1430329,0.5589002641);(481.3464725,0.5796254935);(523.3934201,0.9076305804);(539.3703471,0.6790601141);(551.4247185,0.7609955863);(553.3859963,0.7453391771);(554.3938209,0.639519292);(581.4172947,0.6399460297);(583.3965596,0.943451223);(595.4329439,1.450392782);(596.4359802,0.752479872);(596.4407685,1.340065815);(597.4122088,0.6310978845);(597.4438057,0.6954420571);(609.4485931,0.8301531921);(610.4564177,0.9275610392);(622.4564177,0.9219648052);(623.4642423,0.8658174795);(624.4356826,1.29492023);(625.4387273,0.6869939528);(625.4435072,9.501595234);(626.4465529,5.042306209);(627.4478166,1.658883041) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (133.1011768,0.7730730214);(135.1168269,0.6507828421);(149.0960915,2.145268558);(151.1117415,3.015252922);(153.1273916,1.557172581);(155.1430416,0.6331011144);(191.1430416,1.164262788);(193.1586917,0.7464964751);(215.1430416,0.651704373);(217.1586917,0.9445093425);(219.1743418,0.7565747927);(257.1899918,1.164262788);(259.2056419,0.7464964751);(297.221292,0.6638091257);(309.221292,0.6791404663);(311.236942,0.7631735282);(347.236942,0.8674694052);(349.2525921,1.282191469);(351.2682422,0.6186406649);(363.2682422,0.6638091257);(375.2682422,0.8859341582);(377.2838922,0.7631735282);(397.2889776,0.785458512);(399.3046277,0.6507828421);(413.2838922,2.057056267);(415.2995423,3.040218496);(417.3151924,1.557172581);(419.3308424,0.6331011144);(533.4141781,7.17080411);(551.4247428,16.35222372);(569.4353075,17.69114489) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (133.1011768,2.302748889);(135.1168269,1.028466234);(149.0960915,4.696145138);(151.1117415,2.259778134);(153.1273916,1.278824525);(171.1168269,1.057649147);(187.148127,0.8498844744);(197.132477,1.181367634);(199.148127,0.9603603167);(201.1273916,0.8845205325);(215.1430416,0.9574597602);(237.1637771,1.057649147);(253.1950772,0.8498844744);(297.221292,0.9263277077);(307.2056419,0.8793822717);(329.2263773,1.519363138);(331.2420274,1.054676669);(347.236942,1.231394042);(351.2682422,0.8973719042);(363.2682422,0.9263277077);(373.2525921,0.8793822717);(375.2682422,1.19591973);(395.2733275,3.295625817);(397.2889776,2.430334896);(399.3046277,1.028466234);(413.2838922,2.670996745);(415.2995423,2.334622196);(417.3151924,1.278824525);(533.4141781,1.86023162);(551.4247428,2.462511227);(569.4353075,1.68866501) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (49.00727645,1.224392087);(51.02292652,1.153373602);(55.05422664,1.375388007);(65.03857658,1.555206931);(135.1168269,2.241438696);(173.132477,1.354100986);(175.148127,1.004765467);(187.148127,1.495399759);(199.148127,1.053843203);(201.1637771,1.24541244);(239.1794272,1.354100986);(241.1950772,1.004765467);(253.1950772,1.495399759);(277.1950772,1.092003511);(279.2107273,1.652823882);(317.2263773,1.446663936);(319.2420274,1.58176939);(331.2420274,1.094454073);(343.2420274,1.092003511);(345.2576775,1.652823882);(383.2733275,1.446663936);(385.2889776,1.58176939);(395.2733275,1.890866242);(397.2889776,2.174897801);(399.3046277,2.241438696);(413.2838922,1.384414942);(415.2995423,1.533448452);(509.3777926,1.182321703);(521.4141781,1.406106684);(523.3934427,1.19161711);(537.4090927,1.077818057) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (531.3996252,1.934268315);(537.4101899,0.999591201);(539.42584,0.7767522653);(549.4101899,11.45360727);(551.3894545,0.5431496172);(567.4207546,77.02430966) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (151.1128387,0.6808673642);(153.1284887,0.6427168219);(219.1754389,0.7163670577);(415.3006394,0.6808673642);(417.3162895,0.6427168219);(525.3738044,0.7103976356);(527.3894545,0.7373571857);(531.3996252,1.96597417);(537.4101899,0.795172141);(549.4101899,19.83763114);(551.3894545,1.167801156);(567.4207546,51.87550068) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (43.0189383,1.75553242);(123.0815386,0.9765795177);(149.0971886,1.320499883);(151.1128387,3.731420308);(153.1284887,1.178609421);(191.1441388,1.344893576);(201.1284887,1.109357439);(203.1441388,0.9748769391);(205.1597889,1.258654423);(217.1597889,1.62415663);(257.191089,1.344893576);(267.1754389,1.109357439);(269.191089,0.9748769391);(271.2067391,1.258654423);(283.2067391,1.424424374);(309.2223891,1.379152505);(347.2380392,1.270887994);(349.2536893,2.786329228);(375.2693393,1.379152505);(413.2849894,1.320499883);(415.3006394,3.731420308);(417.3162895,1.178609421);(467.3319396,0.9645673636);(509.3788898,1.077937531);(523.3945398,1.059828184);(533.3788898,3.4261943);(535.3945398,1.906208964);(537.4101899,2.106252257);(539.42584,1.290264223);(551.3894545,7.015107602);(567.4207546,1.638455444) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Algae | Aquatic foods | Publications | Show | |
| Apricot | Fruit, Drupes | Publications | Show | |
| Avocado | Vegetables, Fruit vegetables | Publications | Show | |
| Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
| Carrot | Vegetables, Root vegetables | Publications | Show | |
| Celeriac | Vegetables, Root vegetables | Publications | Show | |
| Corn | Cereals and cereal products | Publications | Show | |
| Kale | Vegetables, Cabbages | Publications | Show | |
| Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Spinach | Vegetables, Leaf vegetables | 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