CHEBI:184276 - PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

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ChEBI Name PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:184276
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H74NO8P
Net Charge 0
Average Mass 764.038
Monoisotopic Mass 763.51521
InChI InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,41H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1
InChIKey AMKOUQLHUASJMB-LKGUXPQCSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:184276) 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] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual Xrefs Databases
24768536 ChemSpider
HMDB0009071 HMDB
LMGP02011195 LIPID MAPS
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