Identification

PhytoHub ID
PHUB000352
Name
Carotene-zeta
Synonyms
Not Available
CAS Number
72746-33-9
Average Mass
540.92
Monoisotopic Mass
540.469501932
Chemical Formula
C40H60
IUPAC Name
all-trans-zeta-carotene
InChI Key
BIWLELKAFXRPDE-WTXAYMOSSA-N
InChI Identifier
InChI=1S/C40H60/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/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
[H]\C(CC\C(C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)CC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.37e-04 g/l
LogS (ALOGPS)
-6.21
LogP (ALOGPS)
9.38
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
18
Polar Surface Area
0.0
Refractivity
195.57280000000006
Polarizability
74.10142118268237
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
CornCereals and cereal products PublicationsShow
PapayaFruit, Tropical fruits PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
Vaccinium (Blueberry, Cranberry, Huckleberry)Fruit, Berries PublicationsShow

Metabolism

No metabolism information available

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