Structure Database (LMSD)

Common Name
4,4'-Diaponeurosporenic acid
Systematic Name
2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoic acid
Synonyms
LM ID
LMPR0106010041
Formula
C30H40O2
Exact Mass
Calculate m/z
432.30283
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)
NXJSQJIGCCIMAE-ORIYTCASSA-N
InChi (Click to copy)
InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
SMILES (Click to copy)
C(O)(=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

KEGG ID
C16146
CHEBI ID
83048
PubChem CID
23724634
Carotenoid ID
CA00015

Calculated Physicochemical Properties

Heavy Atoms 32
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 516.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.77
Molar Refractivity 141.65

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