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CHEBI:187037 - PHHdiA-PE

ChEBI IDCHEBI:187037
ChEBI NamePHHdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H52NO11P
Net Charge0
Average Mass609.694
Monoisotopic Mass609.32780
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(O)/C=C/C(=O)O
InChIInChI=1S/C28H52NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(33)37-22-25(23-39-41(35,36)38-21-20-29)40-28(34)19-17-24(30)16-18-26(31)32/h16,18,24-25,30H,2-15,17,19-23,29H2,1H3,(H,31,32)(H,35,36)/b18-16+/t24?,25-/m1/s1
InChIKeyWILWBFQMVWPUNV-IQBDFAPESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHHdiA-PE (CHEBI:187037) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-7-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual XrefsDatabases
LMGP20020017LIPID MAPS
113380836ChemSpider