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CHEBI:168405 - PE(14:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:168405
ChEBI NamePE(14:1(9Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66NO8P
Net Charge0
Average Mass683.908
Monoisotopic Mass683.45260
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C37H66NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h10-13,16-17,20,22,35H,3-9,14-15,18-19,21,23-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-,22-20-/t35-/m1/s1
InChIKeyGRLZPNRSNNMVHX-JFWNZQDJSA-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)
PE(14:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:168405) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
HMDB0008863HMDB
LMGP02010435LIPID MAPS
24768368ChemSpider