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CHEBI:230277 - PE(24:0/LTE4)

ChEBI IDCHEBI:230277
ChEBI NamePE(24:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H95N2O11PS
Net Charge0
Average Mass987.376
Monoisotopic Mass986.63942
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C52H95N2O11PS/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40-51(58)62-43-46(44-64-66(60,61)63-42-41-53)65-52(59)47(54)45-67-49(48(55)37-36-39-50(56)57)38-34-32-30-28-26-16-14-12-10-8-6-4-2/h12,14,26,28,30,32,34,38,46-49,55H,3-11,13,15-25,27,29,31,33,35-37,39-45,53-54H2,1-2H3,(H,56,57)(H,60,61)/b14-12-,28-26-,32-30+,38-34+/t46-,47+,48+,49-/m1/s1
InChIKeyRDAZJHVHTDIYLZ-ZOACXHLDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(24:0/LTE4) (CHEBI:230277) is a leukotriene (CHEBI:25029)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetracosanoyloxypropan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
HMDB0284476HMDB