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CHEBI:171870 - LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))

ChEBI IDCHEBI:171870
ChEBI NameLysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48NO7P
Net Charge0
Average Mass553.677
Monoisotopic Mass553.31684
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChIInChI=1S/C29H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h3-4,6-7,9-10,12-13,15-16,18-19,28,31H,2,5,8,11,14,17,20-27,30H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
InChIKeyFQPLXQPTXKRVQH-RGSQNDLGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)) (CHEBI:171870) is a 2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:28936)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate
Manual XrefsDatabases
HMDB0011499HMDB
LMGP02050063LIPID MAPS
24769380ChemSpider