Structure Database (LMSD)

Common Name
Asymmetric 9Z-zeta-carotene
Systematic Name
(9Z)-7,8,11,12-Tetrahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070413
Formula
C40H60
Exact Mass
Calculate m/z
540.4695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YTZIWAULTIDEEY-VRIDVZOLSA-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)\CC/C=C(\C)/C)/CC/C(/C)=C\CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Imported from Carotenoids DB http://carotenoiddb.jp/

Other Databases

PubChem CID
171119345
Carotenoid ID
CA01128

Calculated Physicochemical Properties

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

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021