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CHEBI:77329 - 1-stearoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77329
ChEBI Name1-stearoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-stearoyl-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 stearoyl and 8-epi-prostaglandin F2α respectively.
Last Modified10 March 2014
Submitternhn
DownloadsMolfile
FormulaC46H86NO11P
Net Charge0
Average Mass860.164
Monoisotopic Mass859.59385
SMILESCCCCCCCCCCCCCCCCCC(=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/C46H86NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-26-30-45(51)55-37-40(38-57-59(53,54)56-35-34-47(3,4)5)58-46(52)31-27-23-22-25-29-41-42(44(50)36-43(41)49)33-32-39(48)28-24-9-7-2/h22,25,32-33,39-44,48-50H,6-21,23-24,26-31,34-38H2,1-5H3/b25-22-,33-32+/t39-,40+,41-,42+,43-,44+/m0/s1
InChIKeyVUXINVFZDRMFRL-JRXYJGRISA-N
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77329) has functional parent 8-epi-prostaglandin F2α (CHEBI:34505)
1-stearoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77329) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholine (CHEBI:77329) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-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-octadecanoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-O-octadecanoyl-2-(8-epi-prostaglandin F2α)-sn-glycero-3-phosphocholineUniProt
Citations