LIPID MAPS

Structure Database (LMSD)

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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

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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

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

Admin

Created at

29th Oct 2021

Updated at