Structure Database (LMSD)

Common Name
Lycopanerols G acetate
Systematic Name
Complex derivative of psi,psi-caroten
Synonyms
LM ID
LMPR01070498
Formula
C122H238O8
Exact Mass
Calculate m/z
1831.82167
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Botryococcus braunii (#38881)
Trebouxiophyceae (#75966)
Six novel tetraterpenoid ethers, lycopanerols B-G, and some other constituents from the green microalga Botryococcus braunii.,
Phytochemistry, 2000
Pubmed ID: 10897485

String Representations

InChiKey (Click to copy)
FMWOWINXRLNCMX-VCVLFSMMSA-N
InChi (Click to copy)
InChI=1S/C122H238O8/c1-92(2)50-32-56-98(13)62-38-68-104(19)74-44-86-117(26,124)111-80-81-113(126-111)119(28,88-46-76-106(21)70-40-64-100(15)58-34-52-94(5)6)129-120(29,89-47-77-107(22)71-41-65-101(16)59-35-53-95(7)8)114-82-83-115(127-114)121(30,90-48-78-108(23)72-42-66-102(17)60-36-54-96(9)10)130-122(31,91-49-79-109(24)73-43-67-103(18)61-37-55-97(11)12)116-85-84-112(125-110(25)123)118(27,128-116)87-45-75-105(20)69-39-63-99(14)57-33-51-93(3)4/h92-109,111-116,124H,32-91H2,1-31H3/t98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,111?,112+,113?,114?,115?,116+,117?,118+,119?,120?,121?,122?/m1/s1
SMILES (Click to copy)

Other Databases

PubChem CID
162892026
Carotenoid ID
CA00114

Calculated Physicochemical Properties

Heavy Atoms 130
Rings 3
Aromatic Rings
Rotatable Bonds 83
Van der Waals Molecular Volume 2149.76
Topological Polar Surface Area 98.89
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 41.84
Molar Refractivity 574.73

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021