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CHEBI:88515 - 11-trans-Leukotriene C4

ChEBI IDCHEBI:88515
ChEBI Name11-trans-Leukotriene C4
Stars
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-CCHJCNDSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
11-trans-Leukotriene C4 (CHEBI:88515) is a peptide (CHEBI:16670)
Incoming Relation(s)
11-trans-Leukotriene C4(2-) (CHEBI:747192) is conjugate base of 11-trans-Leukotriene C4 (CHEBI:88515)
Synonyms  Source
[R-[R*,S*-(E,E,E,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-gamma-glutamyl-L-cysteinyl]-GlycineHMDB
5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoateHMDB
11-trans-LTC4HMDB
(5S,6R,7E,9E,11E,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acidHMDB
Leukotriene C2HMDB
[R-[R*,S*-(E,E,E,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-g-glutamyl-L-cysteinyl]-GlycineHMDB
Manual XrefsDatabases
HMDB0005095HMDB
Registry NumbersSources
CAS:74841-69-3KEGG COMPOUND
Citations