Structure Database (LMSD)

Common Name
Neurosporene
Systematic Name
7,8-Dihydro-psi,psi-carotene
Synonyms
LM ID
LMPR01070086
Formula
C40H58
Exact Mass
Calculate m/z
538.453851
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Neurospora (#5140)
Sordariomycetes (#147550)
Studies on the carotenoid pigments of Neurospora; composition of the pigment.,
Arch Biochem, 1949
Pubmed ID: 18108933

String Representations

InChiKey (Click to copy)
ATCICVFRSJQYDV-XILUKMICSA-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/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/CC/C=C(/CC/C=C(\C)/C)\C)\C)/C)/C)/C

Other Databases

Wikipedia
Neurosporene
KEGG ID
C05431
HMDB ID
HMDB0003114
CHEBI ID
16833
LIPIDBANK ID
VCA1004
PubChem CID
5280789
Carotenoid ID
CA00047
PDB ID
A1EF2

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 668.88
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.16
Molar Refractivity 185.67

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Created at
-
Updated at
19th Nov 2025