Structure Database (LMSD)

Common Name
epi-Lipoxin A4
Systematic Name
5S,6S,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
  • 5S,6S-Lipoxin A4 epi-LXA4
LM ID
LMFA03040003
Status
Active
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev



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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
IXAQOQZEOGMIQS-UZDWIPAXSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/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/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/[C@@H](O)CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 101.75

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Updated at
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