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CHEBI:77328 - 1-palmitoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77328
ChEBI Name1-palmitoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-(8-epi-prostaglandin F2alpha)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as palmitoyl and 8-epi-prostaglandin F2α respectively.
Last Modified10 March 2014
Submitternhn
DownloadsMolfile
FormulaC44H82NO11P
Net Charge0
Average Mass832.110
Monoisotopic Mass831.56255
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C[C@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C44H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h20,23,30-31,37-42,46-48H,6-19,21-22,24-29,32-36H2,1-5H3/b23-20-,31-30+/t37-,38+,39-,40+,41-,42+/m0/s1
InChIKeyNJHGFFOICHJLQM-JFFHRZTPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77328) has functional parent 8-epi-prostaglandin F2α (CHEBI:34505)
1-palmitoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77328) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77328) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8β,9α,11α,13E,15S)-9,11,15-trihydroxy-1-oxoprosta-5,13-dien-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
1-hexadecanoyl-2-(8-epi-prostaglandin F2αa)-sn-glycero-3-phosphocholineSUBMITTER
UniProt Name  Source
1-O-hexadecanoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholineUniProt
Citations