Identification

PhytoHub ID
PHUB000457
Name
Phytoene
Synonyms
  • Phytoene (15-Z-)
CAS Number
Not Available
Average Mass
544.952
Monoisotopic Mass
544.500802061
Chemical Formula
C40H64
IUPAC Name
cis-phytoene
InChI Key
YVLPJIGOMTXXLP-BHLJUDRVSA-N
InChI Identifier
InChI=1S/C40H64/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/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.17e-04 g/l
LogS (ALOGPS)
-6.23
LogP (ALOGPS)
9.60
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
20
Polar Surface Area
0.0
Refractivity
193.33960000000008
Polarizability
74.47233693728761
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
ApricotFruit, Drupes PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
GrapefruitFruit, Citrus PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
WatermelonVegetables, Gourds PublicationsShow

Metabolism

No metabolism information available

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