CHEBI:192327 - PE(15:0/16:0)

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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(15:0/16:0)
ChEBI ID CHEBI:192327
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H72NO8P
Net Charge 0
Average Mass 677.945
Monoisotopic Mass 677.49956
InChI InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1
InChIKey DCIHLTIBNFDPMW-UUWRZZSWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(15:0/16:0) (CHEBI:192327) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] hexadecanoate
Manual Xrefs Databases
24768393 ChemSpider
HMDB0008890 HMDB
LMGP02011236 LIPID MAPS
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