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CHEBI:84796 - 1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84796
ChEBI Name1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:5 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-/t44-/m1/s1
InChIKeyARDJUHDXABDVFH-ZHSIBHBUSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:84796) has functional parent (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (CHEBI:53488)
1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:84796) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:84796) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:84796) is a phosphatidylcholine 38:5 (CHEBI:64525)
IUPAC Name 
(2R)-2-{[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC
PC(16:0/22:5)LIPID MAPS
PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))LIPID MAPS
GPCho(16:0/22:5n3)HMDB
Phosphatidylcholine(16:0/22:5n3)HMDB
PC(16:0/22:5n3)HMDB
Manual XrefsDatabases
LMGP01010647LIPID MAPS
HMDB0007990HMDB