Structure Database (LMSD)

Common Name
cis-Phytoene
Systematic Name
(15Z)-7,8,11,12,7',8',11',12'-Octahydro-psi,psi-carotene
Synonyms
  • (15Z)-Phytoene
LM ID
LMPR01070255
Formula
C40H64
Exact Mass
Calculate m/z
544.5008
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dunaliella salina (#3046)
Chlorophyceae (#3166)
cis-Stereoisomers of β-carotene and its congeners in the alga Dunaliella bardawil, and their biogenetic interrelationships,
J. Chem. Soc., Perkin Trans. 1, 1993
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
cis-Stereoisomers of β-carotene and its congeners in the alga Dunaliella bardawil, and their biogenetic interrelationships,
J. Chem. Soc., Perkin Trans. 1, 1993

String Representations

InChiKey (Click to copy)
YVLPJIGOMTXXLP-BHLJUDRVSA-N
InChi (Click to copy)
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 (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/C=C\C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C05421
CHEBI ID
27787
PubChem CID
9963391
Carotenoid ID
CA00060

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 676.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.83
Molar Refractivity 185.95

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Created at
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Updated at
24th Oct 2024