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CHEBI:77753 - 1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77753
ChEBI Name1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which 1 and 2-acyl groups are specified as palmitoyl (hexadecanoyl) and (10E)-9-hydroperoxyoctadecenoyl respectively.
Last Modified25 August 2015
Submitternhn
DownloadsMolfile
FormulaC42H82NO10P
Net Charge0
Average Mass792.089
Monoisotopic Mass791.56763
SMILESCCCCCCC/C=C/C(CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)OO
InChIInChI=1S/C42H82NO10P/c1-6-8-10-12-14-15-16-17-18-19-21-25-29-33-41(44)49-37-40(38-51-54(47,48)50-36-35-43(3,4)5)52-42(45)34-30-26-22-24-28-32-39(53-46)31-27-23-20-13-11-9-7-2/h27,31,39-40H,6-26,28-30,32-38H2,1-5H3,(H-,46,47,48)/b31-27+/t39?,40-/m1/s1
InChIKeyPZGLXPVJRAJRPD-QGTBWRAMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:77753) has functional parent 9-hydroperoxy-10E-octadecenoic acid (CHEBI:85587)
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:77753) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:77753) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:77753) is a oxidized glycerophosphocholine zwitterion (CHEBI:167115)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(10E)-9-hydroperoxyoctadec-10-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-hexadecanoyl-2-(9-hydroperoxy-10E-octadecenoyl)-sn -glycero-3-phosphocholineSUBMITTER
1-hexadecanoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-hexadecanoyl-2-[9-hydroperoxy-(10E-octadecenoyl)]-sn-glycero-3-phosphocholineUniProt
Citations