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CHEBI:190847 - PE(16:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:190847
ChEBI NamePE(16:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72NO8P
Net Charge0
Average Mass713.978
Monoisotopic Mass713.49955
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37H,3-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,24-22-/t37-/m1/s1
InChIKeyLDZPTHJGVVQFQZ-QKHBFQRPSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
PE(16:0/18:3(6Z,9Z,12Z)) (CHEBI:190847) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
HMDB0008929HMDB
LMGP02011224LIPID MAPS
24768425ChemSpider