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CHEBI:169608 - PE-GlcGlcDG(P-14:0/16:1(9Z))

ChEBI IDCHEBI:169608
ChEBI NamePE-GlcGlcDG(P-14:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88NO17P
Net Charge0
Average Mass970.185
Monoisotopic Mass969.57899
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](COP(=O)(O)OCCN)[C@@H](O)C(O)C2O)[C@@H](O)C(O)C1O
WURCSWURCS=2.0/2,2,1/[axx22h-1b_1-5_1*OCC^ROCCCCCCCCC=^ZCCCCCCC/6=O/4COC=^ZCCCCCCCCCCCCC][axx22h-1b_1-5_6*OPOCCN/3O/3=O]/1-2/a6-b1
InChIInChI=1S/C47H88NO17P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-39(49)63-36(32-58-30-27-25-23-21-19-16-14-12-10-8-6-4-2)33-59-46-44(54)42(52)40(50)37(64-46)34-60-47-45(55)43(53)41(51)38(65-47)35-62-66(56,57)61-31-29-48/h13,15,27,30,36-38,40-47,50-55H,3-12,14,16-26,28-29,31-35,48H2,1-2H3,(H,56,57)/b15-13-,30-27-/t36-,37-,38-,40-,41-,42?,43?,44?,45?,46-,47-/m1/s1
InChIKeyNEZGKANNEYIIJJ-GGEYTKHBSA-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-GlcGlcDG(P-14:0/16:1(9Z)) (CHEBI:169608) is a glycosylglycerol (CHEBI:24406)
IUPAC Name 
[(2R)-1-[(2R,5S,6R)-6-[[(2R,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(Z)-tetradec-1-enoxy]propan-2-yl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
LMGL05020002LIPID MAPS