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CHEBI:231122 - DG(20:0/LTE4/0:0)

ChEBI IDCHEBI:231122
ChEBI NameDG(20:0/LTE4/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81NO8S
Net Charge0
Average Mass808.220
Monoisotopic Mass807.56829
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C46H81NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-36-45(52)54-38-40(37-48)55-46(53)41(47)39-56-43(42(49)33-32-35-44(50)51)34-30-28-26-24-22-16-14-12-10-8-6-4-2/h12,14,22,24,26,28,30,34,40-43,48-49H,3-11,13,15-21,23,25,27,29,31-33,35-39,47H2,1-2H3,(H,50,51)/b14-12-,24-22-,28-26+,34-30+/t40-,41-,42-,43+/m0/s1
InChIKeyQVMVLBFUHTUSMI-REANAQAQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(20:0/LTE4/0:0) (CHEBI:231122) is a leukotriene (CHEBI:25029)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
117215502ChemSpider
HMDB0296299HMDB