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CHEBI:227257 - MGA-771

ChEBI IDCHEBI:227257
ChEBI NameMGA-771
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50N5O13S3
Net Charge+1
Average Mass772.942
Monoisotopic Mass772.25618
SMILESCC(C)=CCC/C(C)=C\CN(CCCC(C(=O)NC(C)C(OS(=O)(=O)O)c1ccc(OS(=O)(=O)O)c(COS(=O)(=O)O)c1)[N+](C)(C)C)C(=N)N
InChIInChI=1S/C29H49N5O13S3/c1-20(2)10-8-11-21(3)15-17-33(29(30)31)16-9-12-25(34(5,6)7)28(35)32-22(4)27(47-50(42,43)44)23-13-14-26(46-49(39,40)41)24(18-23)19-45-48(36,37)38/h10,13-15,18,22,25,27H,8-9,11-12,16-17,19H2,1-7H3,(H6-,30,31,32,35,36,37,38,39,40,41,42,43,44)/p+1/b21-15-
InChIKeyHGOPAKLYVWSKPQ-QNGOZBTKSA-O
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (30556994)
ChEBI Ontology
Outgoing Relation(s)
MGA-771 (CHEBI:227257) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[5-[carbamimidoyl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]-1-oxo-1-[[1-sulooxy-1-[4-sulooxy-3-(sulooxymethyl)phenyl]propan-2-yl]amino]pentan-2-yl]-trimethylazanium