CHEBI:189605 - PE(39:4)

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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(39:4)
ChEBI ID CHEBI:189605
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H80NO8P
Net Charge 0
Average Mass 782.097
Monoisotopic Mass 781.56216
InChI InChI=1S/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,42H,3-10,12,14-16,18,20,23-24,26,28-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-21-,27-25-/t42-/m1/s1
InChIKey CECLOFYFVPZDIU-GXYHOHGQSA-N
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in heart (BTO:0000562). See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(39:4) (CHEBI:189605) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
113375537 ChemSpider
LMGP02010560 LIPID MAPS
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