CHEBI:171219 - PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))

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ChEBI Name PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
ChEBI ID CHEBI:171219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H74NO8P
Net Charge 0
Average Mass 752.027
Monoisotopic Mass 751.51521
InChI InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,40H,6-7,9,11-12,17-18,21,24-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-/t40-/m1/s1
InChIKey JZKOHYXVBXCCCD-NEBVRQHBSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Metabolite of Species Details
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 HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)) (CHEBI:171219) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767121 ChemSpider
HMDB0008460 HMDB
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