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CHEBI:220736 - Aeruginosin 670

ChEBI IDCHEBI:220736
ChEBI NameAeruginosin 670
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44Cl2N6O7
Net Charge0
Average Mass671.623
Monoisotopic Mass670.26485
SMILESCC(C)CC(NC(=O)C(O)Cc1cc(Cl)c(O)c(Cl)c1)C(=O)N1C(C(=O)NC2CCCN(C(=N)N)C2O)CC2CCC(O)CC21
InChIInChI=1S/C30H44Cl2N6O7/c1-14(2)8-21(36-27(43)24(40)11-15-9-18(31)25(41)19(32)10-15)29(45)38-22-13-17(39)6-5-16(22)12-23(38)26(42)35-20-4-3-7-37(28(20)44)30(33)34/h9-10,14,16-17,20-24,28,39-41,44H,3-8,11-13H2,1-2H3,(H3,33,34)(H,35,42)(H,36,43)
InChIKeyBWARWHZEWXIALB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (16678305)
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 670 (CHEBI:220736) is a leucine derivative (CHEBI:47003)
IUPAC Name 
N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[2-[[3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-4-methylpentanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide