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CHEBI:168952 - PHOHA-PC

ChEBI IDCHEBI:168952
ChEBI NamePHOHA-PC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H58NO10P
Net Charge0
Average Mass635.776
Monoisotopic Mass635.37983
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(O)/C=C/C=O
InChIInChI=1S/C31H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(35)39-26-29(42-31(36)22-21-28(34)19-18-24-33)27-41-43(37,38)40-25-23-32(2,3)4/h18-19,24,28-29,34H,5-17,20-23,25-27H2,1-4H3/b19-18+/t28?,29-/m1/s1
InChIKeyJZEIFJXAJNJJFB-MATOFXKTSA-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)
PHOHA-PC (CHEBI:168952) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP20010012LIPID MAPS