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CHEBI:230204 - DG(10:0/LTE4/0:0)

ChEBI IDCHEBI:230204
ChEBI NameDG(10:0/LTE4/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H61NO8S
Net Charge0
Average Mass667.950
Monoisotopic Mass667.41179
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@@H](CO)COC(=O)CCCCCCCCC)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C36H61NO8S/c1-3-5-7-9-11-12-13-14-15-17-18-20-24-33(32(39)23-22-25-34(40)41)46-29-31(37)36(43)45-30(27-38)28-44-35(42)26-21-19-16-10-8-6-4-2/h11-12,14-15,17-18,20,24,30-33,38-39H,3-10,13,16,19,21-23,25-29,37H2,1-2H3,(H,40,41)/b12-11-,15-14-,18-17+,24-20+/t30-,31-,32-,33+/m0/s1
InChIKeyITCNXQGVIXCKSL-XXXOFKRQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(10:0/LTE4/0:0) (CHEBI:230204) is a leukotriene (CHEBI:25029)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
HMDB0294473HMDB
117213676ChemSpider