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CHEBI:16978 - leukotriene C4

ChEBI IDCHEBI:16978
ChEBI Nameleukotriene C4
Stars
ASCII Nameleukotriene C4
DefinitionA 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.
Secondary ChEBI IDsCHEBI:6422, CHEBI:14504, CHEBI:25025
Last Modified6 June 2022
DownloadsMolfile

FormulaC30H47N3O9S
Net Charge0
Average Mass625.785
Monoisotopic Mass625.30330
SMILESCCCCC/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
InChIInChI=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
InChIKeyGWNVDXQDILPJIG-NXOLIXFESA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
cerebrospinal fluid (UBERON:0001359) PubMed (15243994)
blood (UBERON:0000178) PubMed (20671299)
Mus musculus (ncbitaxon:10090)
- PubMed (19425150) Source: BioModels - MODEL1507180067
bronchoalveolar lavage (BTO:0000155) MetaboLights (MTBLS34) From MetaboLights
- MetaboLights (MTBLS33) From MetaboLights
- MetaboLights (MTBLS32) From MetaboLights
Roles Classification

ChEBI Ontology
IUPAC Name 
L-γ-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl]-L-cysteinylglycine
Synonyms  Source
Leukotriene C4KEGG COMPOUND
(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)glycineChemIDplus
5S,6R-Ltc(sub 4)ChemIDplus
LTC (sub 4)ChemIDplus
5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acidLIPID MAPS
LTC4LIPID MAPS
Manual XrefsDatabases
C02166KEGG COMPOUND
LMFA03020003LIPID MAPS
LEUKOTRIENE-C4MetaCyc
HMDB0001198HMDB
Leukotriene_C4Wikipedia
LTXPDBeChem
DB08855DrugBank
FDB022484FooDB
Registry NumbersSources
Reaxys:4732117Reaxys
CAS:72025-60-6KEGG COMPOUND
CAS:72025-60-6ChemIDplus
Citations