CHEBI:176401 - PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

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ChEBI Name PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:176401
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H78NO8P
Net Charge 0
Average Mass 804.103
Monoisotopic Mass 803.54651
InChI InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
InChIKey DLRNZUPJXRVWRW-FKZZUUMNSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)([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
ChEBI Ontology
Outgoing PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:176401) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766693 ChemSpider
HMDB0008023 HMDB
LMGP01010696 LIPID MAPS
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