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CHEBI:57973 - leukotriene C4(2−)

ChEBI IDCHEBI:57973
ChEBI Nameleukotriene C4(2−)
Stars
ASCII Nameleukotriene C4(2-)
DefinitionThe leukotriene anion that is the dianion of leukotriene C4 arising from deprotonation of the three carboxy groups and protonation of the glutamyl α-amino group.
Last Modified3 December 2015
DownloadsMolfile
FormulaC30H45N3O9S
Net Charge-2
Average Mass623.769
Monoisotopic Mass623.28875
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])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)/p-2/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
InChIKeyGWNVDXQDILPJIG-NXOLIXFESA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
leukotriene C4(2−) (CHEBI:57973) has role human metabolite (CHEBI:77746)
leukotriene C4(2−) (CHEBI:57973) is a leukotriene anion (CHEBI:62942)
leukotriene C4(2−) (CHEBI:57973) is a peptide anion (CHEBI:60334)
leukotriene C4(2−) (CHEBI:57973) is conjugate base of leukotriene C4 (CHEBI:16978)
Incoming Relation(s)
leukotriene C4 (CHEBI:16978) is conjugate acid of leukotriene C4(2−) (CHEBI:57973)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate
Synonym  Source
leukotriene C4 dianionChEBI
UniProt Name  Source
leukotriene C4UniProt
Manual XrefsDatabases
LEUKOTRIENE-C4MetaCyc