CHEBI:176405 - PC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))

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ChEBI Name PC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
ChEBI ID CHEBI:176405
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H84NO9P
Net Charge 0
Average Mass 826.150
Monoisotopic Mass 825.58837
InChI InChI=1S/C46H84NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-21-25-29-33-37-45(49)53-41-44(42-55-57(51,52)54-40-39-47(3,4)5)56-46(50)38-34-30-26-23-22-24-28-32-36-43(48)35-31-27-13-11-9-7-2/h23-24,26-28,31-32,36,43-44,48H,6-22,25,29-30,33-35,37-42H2,1-5H3/b26-23-,28-24-,31-27-,36-32+/t43-,44+/m0/s1
InChIKey YETXCLLSHIMTGE-KDCNQZJWSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)([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(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S])) (CHEBI:176405) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP20010001 LIPID MAPS
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