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CHEBI:177006 - PC(18:0/20:5(9Z,11Z,13Z,15Z,17Z))

ChEBI IDCHEBI:177006
ChEBI NamePC(18:0/20:5(9Z,11Z,13Z,15Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILESCC/C=C\C=C/C=C\C=C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22-23,25,44H,6-7,9,11,13,15,17,19,21,24,26-43H2,1-5H3/b10-8-,14-12-,18-16-,22-20-,25-23-/t44-/m1/s1
InChIKeyQRHBQDASPXNHQA-DRCLNZIMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(18:0/20:5(9Z,11Z,13Z,15Z,17Z)) (CHEBI:177006) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-2-[(9Z,11Z,13Z,15Z,17Z)-icosa-9,11,13,15,17-pentaenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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