CHEBI:88515 - 11-trans-Leukotriene C4

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ChEBI Name 11-trans-Leukotriene C4
ChEBI ID CHEBI:88515
Stars This entity has been manually annotated by a third party.
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Formula C30H47N3O9S
Net Charge 0
Average Mass 625.776
Monoisotopic Mass 625.30330
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-CCHJCNDSSA-N
SMILES S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C/C/C=C\CCCCC)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11-trans-Leukotriene C4 (CHEBI:88515) is a peptide (CHEBI:16670)
Synonyms Sources
(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 acid HMDB
11-trans-LTC4 HMDB
5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoate HMDB
5S-Hydroxy-6R-(S-glutathionyl)-7E,9E,11E14Z-eicosatetraenoic acid HMDB
[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]-Glycine HMDB
[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]-Glycine HMDB
Leukotriene C2 HMDB
Manual Xref Database
HMDB0005095 HMDB
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Registry Number Type Source
74841-69-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
20671299 PubMed citation Europe PMC
3023351 PubMed citation Europe PMC