Structure Database (LMSD)

Common Name
1-Hexosyl-1,2-dihydro-3,4-didehydroapo-8'-lycopenol
Systematic Name
1-Mannosyloxy-3,4-didehydro-1,2-dihydro-8'-apo-psi-caroten-8'-ol
Synonyms
LM ID
LMPR0106010049
Status
Active
Exact Mass
Calculate m/z
596.371305
Formula
C36H52O7
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

String Representations

InChiKey (Click to copy)
YTGUIAOQSPZCKW-QFQZUQSPSA-N
InChi (Click to copy)
InChI=1S/C36H52O7/c1-26(14-8-9-15-27(2)20-12-21-30(5)24-37)16-10-17-28(3)18-11-19-29(4)22-13-23-36(6,7)43-35-34(41)33(40)32(39)31(25-38)42-35/h8-22,31-35,37-41H,23-25H2,1-7H3/b9-8+,16-10+,18-11+,20-12+,22-13+,26-14+,27-15+,28-17+,29-19+,30-21+/t31-,32-,33+,34+,35+/m1/s1
SMILES (Click to copy)
C(/C=C(\C)/C=C/CC(C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\CO

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

Carotenoid ID
CA00794

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 654.13
Topological Polar Surface Area 121.68
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 7.76
Molar Refractivity 179.17

Admin

Created at
17th Nov 2021
Updated at
19th Nov 2021