CHEBI:179035 - PE(18:2(9Z,12Z)/19:0)

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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(18:2(9Z,12Z)/19:0)
ChEBI ID CHEBI:179035
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H80NO8P
Net Charge 0
Average Mass 758.075
Monoisotopic Mass 757.56216
InChI InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,40H,3-11,13,15-17,19,21-39,43H2,1-2H3,(H,46,47)/b14-12-,20-18-/t40-/m1/s1
InChIKey WCAYNWSRHMDUFR-ZWSUCZCESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(18:2(9Z,12Z)/19:0) (CHEBI:179035) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] nonadecanoate
Manual Xref Database
LMGP02010667 LIPID MAPS
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