Structure Database (LMSD)

Common Name
4,4'-Diaponeurosporen-4-al
Systematic Name
2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenal
Synonyms
LM ID
LMPR0106010040
Formula
C30H40O
Exact Mass
Calculate m/z
416.307915
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Staphylococcus aureus (#1280)
Bacilli (#91061)
Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids.,
J Bacteriol, 1981
Pubmed ID: 7275936

String Representations

InChiKey (Click to copy)
XDVAYNOICRRSLG-ZVLLIQJTSA-N
InChi (Click to copy)
InChI=1S/C30H40O/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-31/h8-9,11-16,18-24H,10,17H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+
SMILES (Click to copy)
C([H])(=O)/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)/C

Other Databases

CHEBI ID
79065
PubChem CID
6443564
Carotenoid ID
CA00011

Calculated Physicochemical Properties

Heavy Atoms 31
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 507.31
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 8.89
Molar Refractivity 140.07

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Created at
29th Oct 2021
Updated at
29th Oct 2021