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CHEBI:187329 - PHDdiA-PE

ChEBI IDCHEBI:187329
ChEBI NamePHDdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H62NO11P
Net Charge0
Average Mass679.829
Monoisotopic Mass679.40605
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C33H62NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-32(38)42-27-30(28-44-46(40,41)43-26-25-34)45-33(39)22-19-16-13-14-17-20-29(35)23-24-31(36)37/h23-24,29-30,35H,2-22,25-28,34H2,1H3,(H,36,37)(H,40,41)/b24-23+/t29?,30-/m1/s1
InChIKeyREEUASONVFSMBC-VBGIYYPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHDdiA-PE (CHEBI:187329) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-12-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual XrefsDatabases
LMGP20020025LIPID MAPS
113380844ChemSpider