CHEBI:184140 - PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))

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(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:184140
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H86NO8P
Net Charge 0
Average Mass 836.189
Monoisotopic Mass 835.60911
InChI InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,46H,6-14,16,18-19,24-26,28,30-32,34,36-45H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t46-/m1/s1
InChIKey LJFKFKIYUJNFPZ-ZLFSCUDPSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:184140) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766973 ChemSpider
HMDB0008312 HMDB
LMGP01011827 LIPID MAPS
View more database links