CHEBI:185034 - PE(17:2(9Z,12Z)/0:0)

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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(17:2(9Z,12Z)/0:0)
ChEBI ID CHEBI:185034
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H42NO7P
Net Charge 0
Average Mass 463.552
Monoisotopic Mass 463.26989
InChI InChI=1S/C22H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h5-6,8-9,21,24H,2-4,7,10-20,23H2,1H3,(H,26,27)/b6-5-,9-8-/t21-/m1/s1
InChIKey MTNRBVAOFPGYKP-AMKDCIQSSA-N
SMILES P(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PE(17:2(9Z,12Z)/0:0) (CHEBI:185034) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual Xrefs Databases
113376038 ChemSpider
LMGP02050016 LIPID MAPS
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