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CHEBI:202439 - Aeruginosin DA495B

ChEBI IDCHEBI:202439
ChEBI NameAeruginosin DA495B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34ClN3O6
Net Charge0
Average Mass496.004
Monoisotopic Mass495.21361
SMILESCC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccc(O)c(Cl)c1)C(=O)N1[C@H](C(N)=O)C[C@@H]2CC[C@@H](O)C[C@@H]21
InChIInChI=1S/C24H34ClN3O6/c1-12(2)7-17(27-23(33)21(31)9-13-3-6-20(30)16(25)8-13)24(34)28-18-11-15(29)5-4-14(18)10-19(28)22(26)32/h3,6,8,12,14-15,17-19,21,29-31H,4-5,7,9-11H2,1-2H3,(H2,26,32)(H,27,33)/t14-,15+,17+,18-,19-,21+/m0/s1
InChIKeyJEQFQALMOOSYPM-ICVGXQTJSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (24261937)
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin DA495B (CHEBI:202439) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(2S,3aS,6R,7aS)-1-[(2R)-2-[[(2R)-3-(3-chloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-4-methylpentanoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Manual XrefsDatabases
78436869ChemSpider