PE 14:0_16:0 (CHEBI:228780)

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CHEBI:228780 - PE 14:0_16:0

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ChEBI ID	CHEBI:228780
ChEBI Name	PE 14:0_16:0
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H70NO8P
Net Charge	0
Average Mass	663.918
Monoisotopic Mass	663.48390
SMILES	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI	InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32,36H2,1-2H3,(H,39,40)
InChIKey	FXNACVVCWBVCGD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

ChEBI Ontology

Outgoing Relation(s)
	PE 14:0_16:0 (CHEBI:228780) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)

IUPAC Name
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] hexadecanoate

Manual Xrefs	Databases
20153784	ChemSpider