Structure Database (LMSD)

Common Name
1-Hydroxy-1,2-dihydroneurosporene
Systematic Name
1,2,7,8-Tetrahydro-psi,psi-caroten-1-ol
Synonyms
LM ID
LMPR01070421
Formula
C40H60O
Exact Mass
Calculate m/z
556.464415
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)
A single five-step desaturase is involved in the carotenoid biosynthesis pathway to beta-carotene and torulene in Neurospora crassa.,
Fungal Genet Biol, 2000
Pubmed ID: 11017770

String Representations

InChiKey (Click to copy)
RFXBQLOSFSXIMN-URMRDFKVSA-N
InChi (Click to copy)
InChI=1S/C40H60O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-16,19-21,23-28,30,41H,13,17-18,22,29,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)O)/CC/C(/C)=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)/C

Other Databases

PubChem CID
87443256
Carotenoid ID
CA00129

Calculated Physicochemical Properties

Heavy Atoms 41
Rings
Aromatic Rings
Rotatable Bonds 18
Van der Waals Molecular Volume 680.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.64
Molar Refractivity 187.66

Admin

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