CHEBI:178519 - PE(17:2(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(17:2(9Z,12Z)/18:0)
ChEBI ID CHEBI:178519
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H76NO8P
Net Charge 0
Average Mass 730.021
Monoisotopic Mass 729.53086
InChI InChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,38H,3-9,11,13-15,17,19-37,41H2,1-2H3,(H,44,45)/b12-10-,18-16-/t38-/m1/s1
InChIKey GZDICXOJOJMERQ-URBYTNCHSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(17:2(9Z,12Z)/18:0) (CHEBI:178519) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropan-2-yl] octadecanoate
Manual Xref Database
LMGP02010601 LIPID MAPS
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