LIPID MAPS

Structure Database (LMSD)

Common Name

AT-Resolvin D4

Systematic Name

4S,5,17R-trihydroxy-6E,8E,10E,13E,15Z,19Z-docosahexaenoic acid

Synonyms

AT-RvD4

LM ID

LMFA04030007

Status

Active

Exact Mass

Calculate m/z

376.224975

Formula

C₂₂H₃₂O₅

Abbrev

FA 22:6;O3

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

YKPLJNOOLKUEBS-ZLJGQJRBSA-N

InChi (Click to copy)

InChI=1S/C22H32O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21(25)17-18-22(26)27/h3-4,6-13,15-16,19-21,23-25H,2,5,14,17-18H2,1H3,(H,26,27)/b6-4+,9-7+,10-8+,11-3-,15-12-,16-13+/t19-,20?,21+/m1/s1

SMILES (Click to copy)

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

References

Other Databases

PubChem CID

53477505

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 414.63

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.32

Molar Refractivity 110.79

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