LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

15-oxo-LXA4

Systematic Name

15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid

Synonyms

15-keto-Lipoxin A4
15-keto-LXA4

LM ID

LMFA03040009

Formula

C₂₀H₃₀O₅

Exact Mass

Calculate m/z

350.209325

Sum Composition

FA 20:5;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

KMQGFEBCBYXSPZ-OABWHSJTSA-N

InChi (Click to copy)

InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19+/m1/s1

SMILES (Click to copy)

C(/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/C(=O)CCCCC

References

Other Databases

CHEBI ID

63992

PubChem CID

52921886

SwissLipids ID

SLM:000389596

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 382.67

Topological Polar Surface Area 94.83

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 5

logP 3.91

Molar Refractivity 100.23

Admin

Created at

Updated at