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CHEBI:230941 - PE(LTE4/DiMe(11,3))

Default Structure
ChEBI IDCHEBI:230941
ChEBI NamePE(LTE4/DiMe(11,3))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81N2O12PS
Net Charge0
Average Mass941.219
Monoisotopic Mass940.52478
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCc1oc(CCC)c(C)c1C)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C48H81N2O12PS/c1-5-7-8-9-10-11-12-13-14-18-21-24-30-45(42(51)28-26-31-46(52)53)64-37-41(50)48(55)58-35-40(36-60-63(56,57)59-34-33-49)61-47(54)32-25-22-19-16-15-17-20-23-29-44-39(4)38(3)43(62-44)27-6-2/h10-11,13-14,18,21,24,30,40-42,45,51H,5-9,12,15-17,19-20,22-23,25-29,31-37,49-50H2,1-4H3,(H,52,53)(H,56,57)/b11-10-,14-13-,21-18+,30-24+/t40-,41+,42+,45-/m1/s1
InChIKeyOWQDCEIEVUOQQZ-SXUPQOMUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(LTE4/DiMe(11,3)) (CHEBI:230941) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3,4-dimethyl-5-propyluran-2-yl)undecanoyloxy]propoxy]-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual XrefsDatabases
HMDB0284685HMDB