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CHEBI:213474 - Aeruginosin NOL2

ChEBI IDCHEBI:213474
ChEBI NameAeruginosin NOL2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44N6O6
Net Charge0
Average Mass560.696
Monoisotopic Mass560.33223
SMILESCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)NC(CO)CCCN=C(N)N)C[C@@H]2CCC(O)C[C@@H]21
InChIInChI=1S/C28H44N6O6/c1-2-4-25(38)33-22(13-17-6-9-20(36)10-7-17)27(40)34-23-15-21(37)11-8-18(23)14-24(34)26(39)32-19(16-35)5-3-12-31-28(29)30/h6-7,9-10,18-19,21-24,35-37H,2-5,8,11-16H2,1H3,(H,32,39)(H,33,38)(H4,29,30,31)/t18-,19?,21?,22-,23-,24-/m0/s1
InChIKeyANEUECWYDFNRPB-FYNJCVRDSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena AV1 (ncbitaxon:284707) - PubMed (24040002)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin NOL2 (CHEBI:213474) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S,3aS,7aS)-1-[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide