CHEBI:186701 - PON-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 PON-PE
ChEBI ID CHEBI:186701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H58NO9P
Net Charge 0
Average Mass 607.766
Monoisotopic Mass 607.38492
InChI InChI=1S/C30H58NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(33)37-26-28(27-39-41(35,36)38-25-23-31)40-30(34)22-19-16-13-14-17-20-24-32/h24,28H,2-23,25-27,31H2,1H3,(H,35,36)/t28-/m1/s1
InChIKey MVAIWYVEWHAGGD-MUUNZHRXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC=O)COC(=O)CCCCCCCCCCCCCCC)(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 PON-PE (CHEBI:186701) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(9-oxononanoyloxy)propyl] hexadecanoate
Manual Xrefs Databases
113380847 ChemSpider
LMGP20020028 LIPID MAPS
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