CHEBI:77695 - 1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77695
ChEBI Name1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine
DefinitionA 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at positions 1 and 2 are specified respectively as arachidonoyl and palmityl.
Last Modified13 July 2017
Submitternhn
DownloadsMolfile
FormulaC44H82NO7P
Net Charge0
Average Mass768.114
Monoisotopic Mass767.58289
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
InChIKeyDPKNRBFBYHMBIU-WWBBCYQPSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Daphnia galeata metabolite  A Daphnia metabolite produced by the species Daphnia galeata.
EC 3.1.1.1 (carboxylesterase) inhibitor  Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine (CHEBI:77695) is a 1-acyl-2-alkyl-sn-glycero-3-phosphocholine (CHEBI:65215)
1-arachidonyl-2-palmityl-sn-glycero-3-phosphocholine (CHEBI:77695) is a arachidonic acid (CHEBI:15843)
IUPAC Name 
(2R)-2-(hexadecyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-(5Z,8Z,11Z,14Z-icosatetraenoyl)-2-hexadecyl-sn-glycero-3-phosphocholineChEBI
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-hexadecyl-sn-glycero-3-phosphocholineChEBI
1-arachidonyl-2-O-palmityl-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-O-hexadecyl-sn-glycero-3-phosphocholineUniProt
Citations