precursor

Showing entry for Lutein

Identification

PhytoHub ID
PHUB000361
Name
Lutein
Synonyms
Not Available
CAS Number
Not Available
Average Mass
568.886
Monoisotopic Mass
568.428031043
Chemical Formula
C40H56O2
IUPAC Name
carotenoid
InChI Key
KBPHJBAIARWVSC-RGZFRNHPSA-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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(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
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
7.32e-04 g/l
LogS (ALOGPS)
-5.89
LogP (ALOGPS)
8.29
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
40.46
Refractivity
195.0634
Polarizability
73.3787748950564
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.9139435291721482
pKa (strongest acidic)
18.21727233987641
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
CA000113MassBankEI-EBEB Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow
AvocadoVegetables, Fruit vegetables PublicationsShow
BananaFruit, Tropical fruits PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
Common cabbageVegetables, Cabbages PublicationsShow
Common peaPulses and beans PublicationsShow
Common sageHerbs and Spices PublicationsShow
CornCereals and cereal products PublicationsShow
CucumberVegetables, Gourds PublicationsShow
DillHerbs and Spices PublicationsShow
Egg yolkAnimal foods PublicationsShow
EndiveVegetables, Leaf vegetables PublicationsShow
European plumFruit, Drupes PublicationsShow
Garden cressVegetables, Leaf vegetables PublicationsShow
KaleVegetables, Cabbages PublicationsShow
LeekVegetables, Onion-family PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
Olive oilFats and oils PublicationsShow
PapayaFruit, Tropical fruits PublicationsShow
ParsleyHerbs and Spices PublicationsShow
PeachFruit, Drupes PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
PistachioNuts PublicationsShow
PumpkinVegetables, Gourds PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
Vaccinium (Blueberry, Cranberry, Huckleberry)Fruit, Berries PublicationsShow

Metabolism

No metabolism information available

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