LIPID MAPS

Structure Database (LMSD)

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Common Name

LTC4

Systematic Name

5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid

Synonyms

Leukotriene C4

LM ID

LMFA03020003

Formula

C₃₀H₄₇N₃O₉S

Exact Mass

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625.303304

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

GWNVDXQDILPJIG-NXOLIXFESA-N

InChi (Click to copy)

InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1

SMILES (Click to copy)

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