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M  END
> <ID>
CHEBI:16978

> <NAME>
leukotriene C4

> <DEFINITION>
A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6422; CHEBI:14504; CHEBI:25025

> <SYNONYM>
LTC4; LTC4; LTC4; LTC (sub 4); Leukotriene C4; 5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid; 5S,6R-Ltc(sub 4); (R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine

> <IUPAC_NAME>
L-gamma-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl]-L-cysteinylglycine

> <FORMULA>
C30H47N3O9S

> <MASS>
625.780

> <MONOISOTOPIC_MASS>
625.30330

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O

> <INCHI>
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

> <INCHIKEY>
GWNVDXQDILPJIG-NXOLIXFESA-N

> <CAS_REGISTRY_NUMBER>
72025-60-6

> <REAXYS_REGISTRY_NUMBER>
4732117

> <CHEMIDPLUS>
72025-60-6

> <DRUGBANK_ACCESSION>
DB08855

> <KEGG_COMPOUND_ACCESSION>
C02166

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03020003

> <METACYC_ACCESSION>
LEUKOTRIENE-C4

> <PDBECHEM_ACCESSION>
LTX

> <WIKIPEDIA_ACCESSION>
Leukotriene_C4

> <PUBMED_CITATION>
10064732; 11156567; 12895596; 15243994; 15537867; 1652771; 2007712; 20671299; 2411760; 24244016; 2509375; 2512259; 2558123; 2633615; 26656251; 27124118; 28238471; 28667163; 31268744; 3153930; 33753496; 3418380; 3421265; 6440558; 7714683; 8415814; 8434868; 8608646; 8938552; 8939179; 9042024; 9051719; 9384524; 9642160

$$$$