CHEBI:179097 - PE(17:2(9Z,12Z)/17:0)

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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)/17:0)
ChEBI ID CHEBI:179097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H74NO8P
Net Charge 0
Average Mass 715.994
Monoisotopic Mass 715.51521
InChI InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,37H,3-8,10,12-14,16,18-36,40H2,1-2H3,(H,43,44)/b11-9-,17-15-/t37-/m1/s1
InChIKey VIRFZZCEYTUSRJ-WFRZNGAASA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(17:2(9Z,12Z)/17:0) (CHEBI:179097) 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] heptadecanoate
Manual Xref Database
LMGP02010599 LIPID MAPS
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