CHEBI:180874 - PC(18:4(6Z,9Z,12Z,15Z)/22:0)

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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(18:4(6Z,9Z,12Z,15Z)/22:0)
ChEBI ID CHEBI:180874
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H88NO8P
Net Charge 0
Average Mass 838.205
Monoisotopic Mass 837.62476
InChI InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,30,32,46H,6-8,10,12-14,16,18-20,22-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,26-21-,32-30-/t46-/m1/s1
InChIKey KISSKTFZLUEROR-MNPIPRPGSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing PC(18:4(6Z,9Z,12Z,15Z)/22:0) (CHEBI:180874) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-docosanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766911 ChemSpider
HMDB0008249 HMDB
LMGP01011726 LIPID MAPS
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