CHEBI:230281 - PE(P-16:0/LTE4)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PE(P-16:0/LTE4)
ChEBI ID CHEBI:230281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H79N2O10PS
Net Charge 0
Average Mass 859.150
Monoisotopic Mass 858.51930
InChI InChI=1S/C44H79N2O10PS/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-34-53-36-39(37-55-57(51,52)54-35-33-45)56-44(50)40(46)38-58-42(41(47)30-29-32-43(48)49)31-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,23,25,27-28,31,34,39-42,47H,3-11,13,15-18,20,22,24,26,29-30,32-33,35-38,45-46H2,1-2H3,(H,48,49)(H,51,52)/b14-12-,21-19-,25-23+,31-27+,34-28+/t39-,40+,41+,42-/m1/s1
InChIKey MIBYFOXXMSKSKO-LQNCNMKFSA-N
SMILES S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](CO\C=C\CCCCCCCCCCCCCC)COP(OCCN)(O)=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(P-16:0/LTE4) (CHEBI:230281) 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-[(E)-hexadec-1-enoxy]propan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid