Structure Database (LMSD)

Common Name
Asymmetrical zeta-carotene
Systematic Name
7,8,11,12-Tetrahydro-psi,psi-carotene
Synonyms
  • Asym. zeta-carotene
  • 7,8,11,12-Tetrahydrolycopene
LM ID
LMPR01070129
Formula
C40H60
Exact Mass
Calculate m/z
540.4695
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
Carotenoids and related compounds. Part XXIII. Occurrence of 7,8,11,12-tetrahydrolycopene, spheroidene, 3,4,11',12'-tetrahydrospheroidene, and 11',12'-dihydrospheroidene in Rhodospirillum rubrum,
J. Chem. Soc. C, 1969

String Representations

InChiKey (Click to copy)
YTZIWAULTIDEEY-JLGWONFISA-N
InChi (Click to copy)
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/h11-12,15,17,19-22,25,27-31H,13-14,16,18,23-24,26,32H2,1-10H3/b12-11+,25-15+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C(/C=C(/C)\C)C/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C/C=C(/CC/C=C(\C)/C)\C)\C)/C)/C)/C

Other Databases

LIPIDBANK ID
VCA1047
PubChem CID
16061252
Carotenoid ID
CA00050

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 671.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.39
Molar Refractivity 185.76

Admin

Created at
-
Updated at
10th Oct 2022