CHEBI:188162 - PC(18:2(9Z,12Z)/17:0)

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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)/17:0)
ChEBI ID CHEBI:188162
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H82NO8P
Net Charge 0
Average Mass 772.102
Monoisotopic Mass 771.57781
InChI InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/b16-14-,22-20-/t41-/m1/s1
InChIKey MJWAVUYQCBFFHQ-WESJWMGVSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(18:2(9Z,12Z)/17:0) (CHEBI:188162) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-heptadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
75319953 ChemSpider
LMGP01011621 LIPID MAPS
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