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CHEBI:231016 - PC(P-18:0/LTE4)

ChEBI IDCHEBI:231016
ChEBI NamePC(P-18:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H89N2O10PS
Net Charge0
Average Mass929.296
Monoisotopic Mass928.59755
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@H](CO/C=C/CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C49H89N2O10PS/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-39-58-41-44(42-60-62(56,57)59-40-38-51(3,4)5)61-49(55)45(50)43-63-47(46(52)35-34-37-48(53)54)36-32-30-28-26-24-19-17-15-13-11-9-7-2/h15,17,24,26,28,30,32-33,36,39,44-47,52H,6-14,16,18-23,25,27,29,31,34-35,37-38,40-43,50H2,1-5H3,(H-,53,54,56,57)/b17-15-,26-24-,30-28+,36-32+,39-33+/t44-,45+,46+,47-/m1/s1
InChIKeyPLQUCTHQNGFMID-JNYHQDGASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:0/LTE4) (CHEBI:231016) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[(2R)-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulanylpropanoyl]oxy-3-[(E)-octadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate