LIPID MAPS

Structure Database (LMSD)

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Common Name

Resolvin D1

Systematic Name

7S,8R,17S-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid

Synonyms

RvD1

LM ID

LMFA04030011

Formula

C₂₂H₃₂O₅

Exact Mass

Calculate m/z

376.224975

Sum Composition

FA 22:6;O3

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

OIWTWACQMDFHJG-CCFUIAGSSA-N

InChi (Click to copy)

InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

The role of Resolvin D1 in liver diseases.,
Prostaglandins Other Lipid Mediat, 2022

Pubmed ID: 35292355

Other Databases

KEGG ID

C18178

HMDB ID

HMDB03733

CHEBI ID

81564

PubChem CID

44251266

SwissLipids ID

SLM:000501463

Cayman ID

10012554

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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Created at

Updated at

5th Feb 2024