CHEBI:176752 - PC(24:1/20:4)

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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(24:1/20:4)
ChEBI ID CHEBI:176752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H94NO8P
Net Charge 0
Average Mass 892.297
Monoisotopic Mass 891.67171
InChI InChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23-24,26-27,29,33,35,50H,6-14,16,18-20,22,25,28,30-32,34,36-49H2,1-5H3/b17-15-,23-21-,26-24-,29-27-,35-33-/t50-/m1/s1
InChIKey RSBNPXUFQKNTQS-YNCXEUGZSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(24:1/20:4) (CHEBI:176752) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-docos-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01012033 LIPID MAPS
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