Structure database (LMSD)

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LM IDLMFA04050003
Common Name(7S)-Maresin 1
Systematic Name7S,14S-dihydroxy-4Z,8E,10E,12E,16Z,19Z-docosahexaenoic acid
Synonyms7-epi Maresin 1
Exact Mass
360.2301 (neutral)    Calculate m/z:
FormulaC22H32O4
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassMaresins [FA0405]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID-
InChIKeyHLHYXXBCQOUTGK-KGYDJRPRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-2
2(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,
10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
SMILESC(CC/C=C\C[C@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\C/C=C\CC)(=O)O
Ion mobilityView Ion mobility data
StatusActive
ReferencesSerhan, C.N., et al. 2009. J. Exp. Med. 206: 15-23. PMID: 19103881
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
405.84Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.06Molar
Refractivity
108.89