CHEBI:169351 - PG(20:3(8Z,11Z,14Z)/0:0)

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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(20:3(8Z,11Z,14Z)/0:0)
ChEBI ID CHEBI:169351
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H47O9P
Net Charge 0
Average Mass 534.627
Monoisotopic Mass 534.29577
InChI InChI=1S/C26H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)33-21-25(29)23-35-36(31,32)34-22-24(28)20-27/h6-7,9-10,12-13,24-25,27-29H,2-5,8,11,14-23H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-/t24-,25+/m0/s1
InChIKey GFITYTHFAFYLIJ-NJVHEHRCSA-N
SMILES P(OC[C@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing PG(20:3(8Z,11Z,14Z)/0:0) (CHEBI:169351) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xref Database
LMGP04050025 LIPID MAPS
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