LIPID MAPS

Structure Database (LMSD)

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Common Name

Lipoxin A5

Systematic Name

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

Synonyms

LXA5

LM ID

LMFA03040012

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

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Lipoxins of the 5-series derived from eicosapentaenoic acid.,
Adv Exp Med Biol, 1988

Pubmed ID: 2844069

String Representations

InChiKey (Click to copy)

ZZMKOZNTEJVKRY-YJUORNCYSA-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/h3-10,13-14,17-19,21-23H,2,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,13-9+,14-10+/t17-,18+,19-/m0/s1

SMILES (Click to copy)

C(CCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O

Other Databases

PubChem CID

13914950

Cayman ID

10011453

Calculated Physicochemical Properties

Heavy Atoms 25

Rings

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 382.67

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 3.76

Molar Refractivity 101.65

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Created at

15th Nov 2024

Updated at