PE(12:0/0:0) (CHEBI:168574)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	PE(12:0/0:0)

ChEBI ID	CHEBI:168574

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H36NO7P

Net Charge

Average Mass

397.449

Monoisotopic Mass

397.22294

InChI

InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)/t16-/m1/s1

InChIKey

IZDRGPDUDLWAGR-MRXNPFEDSA-N

SMILES

P(OC[C@H](O)COC(=O)CCCCCCCCCCC)(OCCN)(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via 1-acyl-sn-glycero-3-phosphoethanolamine )

ChEBI Ontology
Outgoing	PE(12:0/0:0) (CHEBI:168574) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)

IUPAC Name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate

Registry Number	Type	Source
120578-22-5	CAS Registry Number	ChemIDplus