LIPID MAPS

Structure Database (LMSD)

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Common Name

PCTR1

Systematic Name

16R-(S-glutathionyl)-17S-hydroxy-4Z,7Z,10Z,12E,14E,19Z-docosahexaenoic acid

Synonyms

Protectin Conjugates in Tissue Regeneration 1

LM ID

LMFA04040004

Formula

C₃₂H₄₇N₃O₉S

Exact Mass

Calculate m/z

649.303304

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Total synthesis of pro-resolving and tissue-regenerative Protectin sulfido-conjugates,
Tetrahedron Letts, 2015

DOI: 10.1016/j.tetlet.2015.09.020

String Representations

InChiKey (Click to copy)

RYALZZFZNGJXAF-BQBCQESNSA-N

InChi (Click to copy)

InChI=1S/C32H47N3O9S/c1-2-3-14-17-26(36)27(18-15-12-10-8-6-4-5-7-9-11-13-16-19-29(38)39)45-23-25(31(42)34-22-30(40)41)35-28(37)21-20-24(33)32(43)44/h3,5-8,10-15,18,24-27,36H,2,4,9,16-17,19-23,33H2,1H3,(H,34,42)(H,35,37)(H,38,39)(H,40,41)(H,43,44)/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+/t24-,25-,26-,27+/m0/s1

SMILES (Click to copy)

C(CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O)[C@@H](O)C/C=C\CC)(=O)O