PhytoHub: Showing entry for Phytoene (15-Z-)

Phytoene (15-Z-)

Identification

PhytoHub ID

PHUB000457

Name

Phytoene (15-Z-)

Synonyms

Not Available

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

MOL SDF PDB SMILES InChI

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: 74.42801239879475
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available

External Links

ChEBI: 8191
ChEBI: 27787
PubChem: 9963391
Chemistry Dashboard: DTXSID10433340
KNApSAcK: C00000905

Taxonomy

Family: Terpenoids
Class: Carotenoids
Sub-class: Not Available

Spectra

No spectra information available

Food Sources

	Name	Group
	Apricot	Fruit, Drupes	Publications	Show

Metabolism

No metabolism information available

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Showing entry for Phytoene (15-Z-)