Structure Database (LMSD)

Common Name
(15Z)-1,2-dihydroneurosporene
Systematic Name
(15Z)-1,2,7,8-Tetrahydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070412
Formula
C40H60
Exact Mass
Calculate m/z
540.4695
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
Blastochloris viridis (#1079)
Alphaproteobacteria (#28211)
Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.,
J Mol Biol, 1999
Pubmed ID: 10024457

String Representations

InChiKey (Click to copy)
NHKJSVKSSGKUCH-DBWJSHEJSA-N
InChi (Click to copy)
InChI=1S/C40H60/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/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/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/C=C(\C)/CC/C=C(\C)/CCCC(C)C)=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(/C)\C

Other Databases

PubChem CID
449581
Carotenoid ID
CA00052
PDB ID
NS5

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 671.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.24
Molar Refractivity 185.69

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