CHEBI:180816 - PE(18:3(6Z,9Z,12Z)/18:0)

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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 PE(18:3(6Z,9Z,12Z)/18:0)
ChEBI ID CHEBI:180816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H76NO8P
Net Charge 0
Average Mass 742.032
Monoisotopic Mass 741.53086
InChI InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39H,3-10,12,14-16,18,20-22,24,26-38,42H2,1-2H3,(H,45,46)/b13-11-,19-17-,25-23-/t39-/m1/s1
InChIKey HVDYTORIBLUETE-AFCCUTSCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(18:3(6Z,9Z,12Z)/18:0) (CHEBI:180816) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate
Manual Xrefs Databases
24768586 ChemSpider
HMDB0009123 HMDB
LMGP02010690 LIPID MAPS
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