CHEBI:176406 - PC(18:2(2E,4E)/0:0)

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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(18:2(2E,4E)/0:0)
ChEBI ID CHEBI:176406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H50NO7P
Net Charge 0
Average Mass 519.660
Monoisotopic Mass 519.33249
InChI InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h17-20,25,28H,5-16,21-24H2,1-4H3/b18-17+,20-19+/t25-/m1/s1
InChIKey CLDXAAPENVNFAW-JRMAHNDFSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](O)COC(=O)\C=C\C=C\CCCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via lysophosphatidylcholine )
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ChEBI Ontology
Outgoing PC(18:2(2E,4E)/0:0) (CHEBI:176406) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name
[(2R)-2-hydroxy-3-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24823010 ChemSpider
LMGP01050034 LIPID MAPS
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