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CHEBI:188198 - PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))

ChEBI IDCHEBI:188198
ChEBI NamePE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO8P
Net Charge0
Average Mass752.027
Monoisotopic Mass751.51520
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C42H74NO8P/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/h6,8,12,14,18-21,24,26,40H,3-5,7,9-11,13,15-17,22-23,25,27-39,43H2,1-2H3,(H,46,47)/b8-6-,14-12-,20-18-,21-19-,26-24-/t40-/m1/s1
InChIKeyKBFCWQFXNVSFOD-NUGQXMORSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE(18:4(6Z,9Z,12Z,15Z)/19:1(9Z)) (CHEBI:188198) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-nonadec-9-enoate
Manual XrefsDatabases
LMGP02010756LIPID MAPS
113375653ChemSpider