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CHEBI:84795 - 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84795
ChEBI Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:5 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (4Z,7Z,10Z,13Z,16Z)-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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
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/h14,16,20-21,23-24,27,29,33,35,44H,6-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
InChIKeyMWXAIAMSOXOQJK-JIXVGTEKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
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-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine (CHEBI:84795) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine (CHEBI:84795) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine (CHEBI:84795) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine (CHEBI:84795) is a phosphatidylcholine 38:5 (CHEBI:64525)
IUPAC Name 
(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(16:0/22:5)LIPID MAPS
PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))LIPID MAPS
Phosphatidylcholine(16:0/22:5w6)HMDB
Phosphatidylcholine(16:0/22:5n6)HMDB
GPCho(16:0/22:5n6)HMDB
1-Palmitoyl-2-docosapentaenoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
LMGP01010645LIPID MAPS
HMDB0007989HMDB