CHEBI:176770 - PC(19:0/18:2)

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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(19:0/18:2)
ChEBI ID CHEBI:176770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H86NO8P
Net Charge 0
Average Mass 800.156
Monoisotopic Mass 799.60911
InChI InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1
InChIKey PJWLBXAALWGJFW-NXTJWINRSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(19:0/18:2) (CHEBI:176770) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766629 ChemSpider
HMDB0007954 HMDB
LMGP01011428 LIPID MAPS
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