LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Serpentene

Systematic Name

5-[2-[nona-1Z,3E,5Z,7E-tetraenyl]phenyl]penta-2E,4E-dienoic acid

Synonyms

LM ID

LMFA01140119

Formula

C₂₀H₂₀O₂

Exact Mass

Calculate m/z

292.14633

Sum Composition

FA 20:10

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Streptomyces (#2593676)

Actinomycetes (#1760)

Novel polyene carboxylic acids from Streptomyces.,
J Nat Prod, 2004

Pubmed ID: 15387680

String Representations

InChiKey (Click to copy)

WDDIDKVGAUZJRA-DZXROGOMSA-N

InChi (Click to copy)

InChI=1S/C20H20O2/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)16-11-12-17-20(21)22/h2-17H,1H3,(H,21,22)/b3-2+,5-4-,7-6+,13-8-,16-11+,17-12+

SMILES (Click to copy)

C1(=C(C=C/C=C/C(=O)O)C=CC=C1)C=C/C=C/C=C\C=C\C

Other Databases

PubChem CID

20056305

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings 1

Rotatable Bonds 7

Van der Waals Molecular Volume 322.48

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.04

Molar Refractivity 94.38

Admin

Created at

28th Oct 2024

Updated at