CHEBI:169407 - PKOOA-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 PKOOA-PE
ChEBI ID CHEBI:169407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H52NO10P
Net Charge 0
Average Mass 605.706
Monoisotopic Mass 605.33288
InChI InChI=1S/C29H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28(33)37-24-27(25-39-41(35,36)38-23-21-30)40-29(34)20-15-17-26(32)18-16-22-31/h16,18,22,27H,2-15,17,19-21,23-25,30H2,1H3,(H,35,36)/b18-16+/t27-/m1/s1
InChIKey RFLSUNZNGCAQEJ-DRTHVRHMSA-N
SMILES P(OC[C@H](OC(=O)CCCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(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 PKOOA-PE (CHEBI:169407) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-5,8-dioxooct-6-enoyl]oxypropyl] hexadecanoate
Manual Xref Database
LMGP20020022 LIPID MAPS
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