LIPID MAPS

Structure Database (LMSD)

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Common Name

14,15-HxA3-C(11S)

Systematic Name

11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid

Synonyms

14,15-Hepoxilin A3-C (11S)

LM ID

LMFA03090008

Formula

C₃₀H₄₉N₃O₁₀S

Exact Mass

Calculate m/z

643.313869

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Biosynthesis of 14,15-hepoxilins in human l1236 Hodgkin lymphoma cells and eosinophils.,
Lipids, 2011

Pubmed ID: 21046276

String Representations

InChiKey (Click to copy)

JHBHHPKTNQAMGQ-MHUJEVIJSA-N

InChi (Click to copy)

InChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1

SMILES (Click to copy)

S([C@@H]([C@@H](O)CCCCC)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O)C[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O