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CHEBI:231261 - PC(20:0/LTE4)

ChEBI IDCHEBI:231261
ChEBI NamePC(20:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H93N2O11PS
Net Charge0
Average Mass973.349
Monoisotopic Mass972.62377
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C51H93N2O11PS/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-39-50(57)61-42-45(43-63-65(59,60)62-41-40-53(3,4)5)64-51(58)46(52)44-66-48(47(54)36-35-38-49(55)56)37-33-31-29-27-25-19-17-15-13-11-9-7-2/h15,17,25,27,29,31,33,37,45-48,54H,6-14,16,18-24,26,28,30,32,34-36,38-44,52H2,1-5H3,(H-,55,56,59,60)/b17-15-,27-25-,31-29+,37-33+/t45-,46+,47+,48-/m1/s1
InChIKeyWFMXBLZHQMXGGY-QXGCZGODSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(20:0/LTE4) (CHEBI:231261) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
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-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0286968HMDB