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CHEBI:169159 - PHHdiA-PC

ChEBI IDCHEBI:169159
ChEBI NamePHHdiA-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H58NO11P
Net Charge0
Average Mass651.775
Monoisotopic Mass651.37475
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(O)/C=C/C(=O)O
InChIInChI=1S/C31H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(36)40-25-28(26-42-44(38,39)41-24-23-32(2,3)4)43-31(37)22-20-27(33)19-21-29(34)35/h19,21,27-28,33H,5-18,20,22-26H2,1-4H3,(H-,34,35,38,39)/b21-19+/t27?,28-/m1/s1
InChIKeyFDBODRZRPLXQIU-KQFWQPQWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PHHdiA-PC (CHEBI:169159) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(E)-6-carboxy-4-hydroxyhex-5-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP20010010LIPID MAPS