CHEBI:184156 - PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

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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(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:184156
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/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,31,33,44H,6-7,9,11-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
InChIKey HRBNRYBXXRPMKP-QNDMKCBJSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:184156) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766811 ChemSpider
HMDB0008149 HMDB
LMGP01011634 LIPID MAPS
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