Structure Database (LMSD)

Common Name
Apo-4'-lycopenoic acid
Systematic Name
4'-Apo-psi,psi-caroten-4'-oic acid
Synonyms
LM ID
LMPR01070503
Formula
C35H46O2
Exact Mass
Calculate m/z
498.34978
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

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Neurospora crassa (#5141)
Sordariomycetes (#147550)
Analysis of al-2 mutations in Neurospora.,
PLoS One, 2011
Pubmed ID: 21818281

String Representations

InChiKey (Click to copy)
AWXQRWPOQLJGPZ-MTXADBHRSA-N
InChi (Click to copy)
InChI=1S/C35H46O2/c1-28(2)16-11-19-31(5)22-14-24-32(6)23-12-20-29(3)17-9-10-18-30(4)21-13-25-33(7)26-15-27-34(8)35(36)37/h9-10,12-18,20-27H,11,19H2,1-8H3,(H,36,37)/b10-9+,20-12+,21-13+,24-14+,26-15+,29-17+,30-18+,31-22+,32-23+,33-25+,34-27+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(O)=O

Other Databases

PubChem CID
50986066
Carotenoid ID
CA01123

Calculated Physicochemical Properties

Heavy Atoms 37
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 597.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.28
Molar Refractivity 164.54

Admin

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