PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (CHEBI:230915)

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CHEBI:230915 - PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

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ChEBI ID	CHEBI:230915
ChEBI Name	PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S))
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H74NO8P
Net Charge	0
Average Mass	740.016
Monoisotopic Mass	739.51520
SMILES	CCCCCCCCCCCCCC/C=C/OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\CC1OC1CCCCC
InChI	InChI=1S/C41H74NO8P/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-29-34-46-36-38(37-48-51(44,45)47-35-33-42)49-41(43)32-28-24-21-18-15-14-17-20-23-27-31-40-39(50-40)30-26-6-4-2/h14,17-18,21,23,27,29,34,38-40H,3-13,15-16,19-20,22,24-26,28,30-33,35-37,42H2,1-2H3,(H,44,45)/b17-14-,21-18-,27-23-,34-29+/t38-,39?,40?/m1/s1
InChIKey	PLICIBJJCVRWRV-ULAKDSQDSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (CHEBI:230915) is a glycerophosphoethanolamine (CHEBI:36314)

IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-hexadec-1-enoxy]propan-2-yl] (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate

Manual Xrefs	Databases
HMDB0285166	HMDB