CHEBI:190179 - PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))

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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(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:190179
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H80NO8P
Net Charge 0
Average Mass 830.141
Monoisotopic Mass 829.56216
InChI InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33,46H,6-7,9,11-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
InChIKey JZRVOSBBLOOKKL-KZXZEBSASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) (CHEBI:190179) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767359 ChemSpider
HMDB0008698 HMDB
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