CHEBI:142701 - PC(20:0/18:2(9Z,12Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PC(20:0/18:2(9Z,12Z))
ChEBI ID CHEBI:142701
Definition A phosphatidylcholine 38:2 which carries an icosanoyl group at position 1 and a (6Z,9Z)-18-oxooctadeca-6,9-dien-18-yl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter janelomax
Supplier Information
Download Molfile XML SDF
Formula C46H88NO8P
Net Charge 0
Average Mass 814.168
Monoisotopic Mass 813.62476
InChI InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/b17-15-,24-21-/t44-/m1/s1
InChIKey KXXLFCAPKGRXBT-FMJYHZMHSA-N
SMILES C([C@@H](COC(CCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)OP(OCC[N+](C)(C)C)(=O)[O-]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 38:2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PC(20:0/18:2(9Z,12Z)) (CHEBI:142701) is a phosphatidylcholine 38:2 (CHEBI:66859)
IUPAC Name
(2R)-3-(icosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-eicosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine MetaCyc
1-icosanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine ChEBI
PC(20:0/18:2(9Z,12Z)) SUBMITTER
phosphatidylcholine(20:0/18:2(9Z,12Z)) ChEBI
Manual Xrefs Databases
CPD-8371 MetaCyc
HMDB0008270 HMDB
LMGP01011296 LIPID MAPS
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Last Modified
04 December 2018