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CHEBI:186717 - OKHdiA-PE

ChEBI IDCHEBI:186717
ChEBI NameOKHdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52NO11P
Net Charge0
Average Mass633.716
Monoisotopic Mass633.32780
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C30H52NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(35)39-24-27(25-41-43(37,38)40-23-22-31)42-30(36)21-19-26(32)18-20-28(33)34/h9-10,18,20,27H,2-8,11-17,19,21-25,31H2,1H3,(H,33,34)(H,37,38)/b10-9-,20-18+/t27-/m1/s1
InChIKeyFGLLKVIPQTWJAK-FWLMWTQPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKHdiA-PE (CHEBI:186717) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-7-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
113380860ChemSpider
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