CHEBI:178454 - PE(18:1(9Z)/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(18:1(9Z)/19:0)
ChEBI ID CHEBI:178454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H82NO8P
Net Charge 0
Average Mass 760.091
Monoisotopic Mass 759.57781
InChI InChI=1S/C42H82NO8P/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/h18,20,40H,3-17,19,21-39,43H2,1-2H3,(H,46,47)/b20-18-/t40-/m1/s1
InChIKey NQPXPQCQPMEMBK-VDLQPGGRSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(18:1(9Z)/19:0) (CHEBI:178454) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] nonadecanoate
Manual Xref Database
LMGP02010645 LIPID MAPS
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