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CHEBI:169051 - PHHdiA-PA

ChEBI IDCHEBI:169051
ChEBI NamePHHdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H47O11P
Net Charge0
Average Mass566.625
Monoisotopic Mass566.28560
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(O)/C=C/C(=O)O
InChIInChI=1S/C26H47O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(30)35-20-23(21-36-38(32,33)34)37-26(31)19-17-22(27)16-18-24(28)29/h16,18,22-23,27H,2-15,17,19-21H2,1H3,(H,28,29)(H2,32,33,34)/b18-16+/t22?,23-/m1/s1
InChIKeyWGNYWUVFKBCERS-ABTZLANDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PHHdiA-PA (CHEBI:169051) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-7-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual XrefsDatabases
LMGP20070011LIPID MAPS