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CHEBI:181677 - PC 17:0-20:3-d5_ISTD

ChEBI IDCHEBI:181677
ChEBI NamePC 17:0-20:3-d5_ISTD
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79D5NO8P
Net Charge0
Average Mass803.171
Monoisotopic Mass802.62484
SMILES[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCC)[C@@]([2H])(OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)C([2H])([2H])OP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,43H,6-7,9,11-13,15,17-19,21,23-42H2,1-5H3/b10-8-,16-14-,22-20-/t43-/m1/s1/i41D2,42D2,43D
InChIKeyVJODNNQZGFWVNO-KBIBGJITSA-N
ChEBI Ontology
Outgoing Relation(s)
PC 17:0-20:3-d5_ISTD (CHEBI:181677) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate