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CHEBI:230880 - MG(LTE4/0:0/0:0)

ChEBI IDCHEBI:230880
ChEBI NameMG(LTE4/0:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO7S
Net Charge0
Average Mass513.697
Monoisotopic Mass513.27602
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)OC[C@@H](O)CO)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C26H43NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(30)15-14-17-25(31)32)35-20-22(27)26(33)34-19-21(29)18-28/h6-7,9-13,16,21-24,28-30H,2-5,8,14-15,17-20,27H2,1H3,(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
InChIKeyCYDYAFSODZMADY-VJBFNVCUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
MG(LTE4/0:0/0:0) (CHEBI:230880) is a leukotriene (CHEBI:25029)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2S)-2,3-dihydroxypropoxy]-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
117216995ChemSpider
HMDB0260480HMDB