Structure Database (LMSD)

Common Name
(7Z,9Z,9'Z)-Neurosporene
Systematic Name
(7Z,9Z,9'Z)-7,8-Dihydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070415
Formula
C40H58
Exact Mass
Calculate m/z
538.45385
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
Solanum lycopersicum (#4081)
Magnoliopsida (#3398)
Analysis in vitro of the enzyme CRTISO establishes a poly-cis-carotenoid biosynthesis pathway in plants.,
Plant Physiol, 2004
Pubmed ID: 15557094

String Representations

InChiKey (Click to copy)
ATCICVFRSJQYDV-IFJQPPEWSA-N
InChi (Click to copy)
InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
SMILES (Click to copy)
C(/C=C\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)\CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
62463
PubChem CID
25244751
Carotenoid ID
CA00066

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 668.88
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.16
Molar Refractivity 185.67

Admin

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