CHEBI:176994 - PG(20:0/21:0)

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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 PG(20:0/21:0)
ChEBI ID CHEBI:176994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H93O10P
Net Charge 0
Average Mass 849.225
Monoisotopic Mass 848.65064
InChI InChI=1S/C47H93O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-47(51)57-45(43-56-58(52,53)55-41-44(49)40-48)42-54-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,52,53)/t44-,45+/m0/s1
InChIKey XVNLTOYURBTNMA-YWPUXERESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing PG(20:0/21:0) (CHEBI:176994) is a phosphocholines (CHEBI:36700)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] henicosanoate
Manual Xref Database
LMGP04010524 LIPID MAPS
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