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CHEBI:183220 - 1-(9Z-octadecenoyl)-2-(10Z,13Z,16Z,19Z-docosatetraenoyl)-sn-glycero-3-O-2'-(hydroxymethyl)-(N,N,N-trimethyl)-beta-alanine

ChEBI IDCHEBI:183220
ChEBI Name1-(9Z-octadecenoyl)-2-(10Z,13Z,16Z,19Z-docosatetraenoyl)-sn-glycero-3-O-2'-(hydroxymethyl)-(N,N,N-trimethyl)-beta-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H83NO7
Net Charge0
Average Mass786.192
Monoisotopic Mass785.61695
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](COCC(C[N+](C)(C)C)C(=O)[O-])COC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C48H83NO7/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-47(51)56-45(42-54-41-44(48(52)53)40-49(3,4)5)43-55-46(50)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,44-45H,6-7,9,11-13,15,18,22,25-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-/t44?,45-/m0/s1
InChIKeyHIGUSNHSANAHGJ-DGCPUPDLSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
1-(9Z-octadecenoyl)-2-(10Z,13Z,16Z,19Z-docosatetraenoyl)-sn-glycero-3-O-2'-(hydroxymethyl)-(N,N,N-trimethyl)-beta-alanine (CHEBI:183220) is a diglyceride (CHEBI:18035)
IUPAC Name 
2-[[(2S)-2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]methyl]-3-(trimethylazaniumyl)propanoate
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