CHEBI:230639 - 3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate

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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 3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate
ChEBI ID CHEBI:230639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H46NO8P
Net Charge 0
Average Mass 495.594
Monoisotopic Mass 495.29610
InChI InChI=1S/C23H46NO8P/c1-3-5-7-9-11-13-15-22(25)29-19-21(20-31-33(27,28)30-18-17-24)32-23(26)16-14-12-10-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)
InChIKey LLHCULZCDVFEMO-UHFFFAOYSA-N
SMILES P(OCC(OC(=O)CCCCCCCC)COC(=O)CCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate (CHEBI:230639) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonanoyloxypropyl] nonanoate
Manual Xrefs Databases
7825934 ChemSpider
LMGP02010285 LIPID MAPS
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