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CHEBI:223441 - Microguanidine AL772

ChEBI IDCHEBI:223441
ChEBI NameMicroguanidine AL772
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49N4O14S3
Net Charge+1
Average Mass773.926
Monoisotopic Mass773.24019
SMILESCC(C)=CCC/C(C)=C/CN(CCCC(C(=O)OC(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/C29H48N4O14S3/c1-20(2)10-8-11-21(3)15-17-32(29(30)31)16-9-12-25(33(5,6)7)28(34)45-22(4)27(47-50(41,42)43)23-13-14-26(46-49(38,39)40)24(18-23)19-44-48(35,36)37/h10,13-15,18,22,25,27H,8-9,11-12,16-17,19H2,1-7H3,(H5-,30,31,35,36,37,38,39,40,41,42,43)/p+1/b21-15+
InChIKeyBHXZESJHQKTKGS-RCCKNPSSSA-O
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/j.tet.2008.05.031)
ChEBI Ontology
Outgoing Relation(s)
Microguanidine AL772 (CHEBI:223441) is a arginine derivative (CHEBI:22617)
IUPAC Name 
[5-[carbamimidoyl-[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-oxo-1-[1-sulooxy-1-[4-sulooxy-3-(sulooxymethyl)phenyl]propan-2-yl]oxypentan-2-yl]-trimethylazanium
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78443797ChemSpider