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CHEBI:230636 - PC(24:0/LTE4)

ChEBI IDCHEBI:230636
ChEBI NamePC(24:0/LTE4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H101N2O11PS
Net Charge0
Average Mass1029.457
Monoisotopic Mass1028.68637
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-])OCC[N+](C)(C)C)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C55H101N2O11PS/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43-54(61)65-46-49(47-67-69(63,64)66-45-44-57(3,4)5)68-55(62)50(56)48-70-52(51(58)40-39-42-53(59)60)41-37-35-33-31-29-19-17-15-13-11-9-7-2/h15,17,29,31,33,35,37,41,49-52,58H,6-14,16,18-28,30,32,34,36,38-40,42-48,56H2,1-5H3,(H-,59,60,63,64)/b17-15-,31-29-,35-33+,41-37+/t49-,50+,51+,52-/m1/s1
InChIKeyQFWGHIFZWZVLIF-CNKATFKJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(24:0/LTE4) (CHEBI:230636) 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-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0288628HMDB