CHEBI:177013 - PC(13:0/21:0)

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(13:0/21:0)
ChEBI ID CHEBI:177013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H84NO8P
Net Charge 0
Average Mass 762.107
Monoisotopic Mass 761.59346
InChI InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChIKey YNAVPMYVEPIOMV-RRHRGVEJSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing PC(13:0/21:0) (CHEBI:177013) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-henicosanoyloxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822278 ChemSpider
LMGP01010466 LIPID MAPS
View more database links