CHEBI:187669 - OG-PE

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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 OG-PE
ChEBI ID CHEBI:187669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H52NO10P
Net Charge 0
Average Mass 593.695
Monoisotopic Mass 593.33288
InChI InChI=1S/C28H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(32)36-23-25(24-38-40(34,35)37-22-21-29)39-28(33)20-17-18-26(30)31/h9-10,25H,2-8,11-24,29H2,1H3,(H,30,31)(H,34,35)/b10-9-/t25-/m1/s1
InChIKey HNCJTFUKDGQMLS-HAAQQRBASA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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
ChEBI Ontology
Outgoing OG-PE (CHEBI:187669) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
5-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-5-oxopentanoic acid
Manual Xrefs Databases
113380855 ChemSpider
LMGP20020036 LIPID MAPS
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