CHEBI:184138 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
ChEBI ID CHEBI:184138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H78NO8P
Net Charge 0
Average Mass 804.103
Monoisotopic Mass 803.54651
InChI InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,18,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
InChIKey XDRDYWGCXBEKPZ-DPUCSNIESA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (CHEBI:184138) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767387 ChemSpider
HMDB0008726 HMDB
LMGP01012103 LIPID MAPS
View more database links