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CHEBI:189911 - PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))

ChEBI IDCHEBI:189911
ChEBI NamePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H88NO8P
Net Charge0
Average Mass874.238
Monoisotopic Mass873.62476
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C51H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,25,27,31,33,37,39,49H,3-5,7,9-11,13,15-16,21-24,26,28-30,32,34-36,38,40-48,52H2,1-2H3,(H,55,56)/b8-6-,14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t49-/m1/s1
InChIKeyOMJHXRCURSUQPC-UGHFVVAGSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) (CHEBI:189911) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0009707HMDB
24769150ChemSpider