Structure Database (LMSD)

Common Name
2,2'-Diapocarotene-dial
Systematic Name
2,2'-Diapo-carotene-2,2'-dial
Synonyms
LM ID
LMPR01070504
Formula
C34H40O2
Exact Mass
Calculate m/z
480.30283
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)
MZAJLFGIMGOSAG-YMFMDPONSA-N
InChi (Click to copy)
InChI=1S/C34H40O2/c1-29(17-9-19-31(3)21-11-23-33(5)25-13-27-35)15-7-8-16-30(2)18-10-20-32(4)22-12-24-34(6)26-14-28-36/h7-28H,1-6H3/b8-7+,17-9+,18-10+,21-11+,22-12+,25-13+,26-14+,29-15+,30-16+,31-19+,32-20+,33-23+,34-24+
SMILES (Click to copy)
C(=O)/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)/C=C/C=O

Other Databases

PubChem CID
171118833
Carotenoid ID
CA00153

Calculated Physicochemical Properties

Heavy Atoms 36
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 574.74
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 8.96
Molar Refractivity 158.65

Admin

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