CHEBI:170815 - PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)

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ChEBI Name PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
ChEBI ID CHEBI:170815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H80NO8P
Net Charge 0
Average Mass 794.108
Monoisotopic Mass 793.56216
InChI InChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,31,33,43H,6-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-,33-31-/t43-/m1/s1
InChIKey UGZGMYSUUFRYLK-QBTPQBFUSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0) (CHEBI:170815) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767319 ChemSpider
HMDB0008658 HMDB
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