CHEBI:89111 - PC(20:3(5Z,8Z,11Z)/18:0)

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ChEBI Name PC(20:3(5Z,8Z,11Z)/18:0)
ChEBI ID CHEBI:89111
Stars This entity has been manually annotated by a third party.
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Formula C46H86NO8P
Net Charge 0
Average Mass 812.152
Monoisotopic Mass 811.60911
InChI InChI=1S/C46H86NO8P/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/h20,22,25-26,30,32,44H,6-19,21,23-24,27-29,31,33-43H2,1-5H3/b22-20-,26-25-,32-30-/t44-/m1/s1
InChIKey ZQCXMBYHCICNPX-FIAOWNBRSA-N
SMILES C([C@@](COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(OC(CCCCCCCCCCCCCCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
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 38:3 )
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ChEBI Ontology
Outgoing PC(20:3(5Z,8Z,11Z)/18:0) (CHEBI:89111) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
PC(20:3(5Z,8Z,11Z)/18:0) (CHEBI:89111) is a PC(20:3/18:0) (CHEBI:141502)
Synonyms Sources
(2-{[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Meadoyl-2-stearoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:3/18:0) HMDB
GPCho(20:3n9/18:0) HMDB
GPCho(20:3w9/18:0) HMDB
GPCho(38:3) HMDB
Lecithin HMDB
PC aa C38:3 HMDB
PC(20:3/18:0) HMDB
PC(20:3n9/18:0) HMDB
PC(20:3w9/18:0) HMDB
PC(38:3) HMDB
Phosphatidylcholine(20:3/18:0) HMDB
Phosphatidylcholine(20:3n9/18:0) HMDB
Phosphatidylcholine(20:3w9/18:0) HMDB
Phosphatidylcholine(38:3) HMDB
Manual Xrefs Databases
HMDB0008366 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC
Last Modified
24 July 2018