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CHEBI:207701 - Aeruginosin 298-A

ChEBI IDCHEBI:207701
ChEBI NameAeruginosin 298-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48N6O7
Net Charge0
Average Mass604.749
Monoisotopic Mass604.35845
SMILESCC(C)C[C@H](NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(=O)NC(CO)CCCN=C(N)N)CC2CCC(O)CC21
InChIInChI=1S/C30H48N6O7/c1-17(2)12-23(35-28(42)26(40)13-18-5-8-21(38)9-6-18)29(43)36-24-15-22(39)10-7-19(24)14-25(36)27(41)34-20(16-37)4-3-11-33-30(31)32/h5-6,8-9,17,19-20,22-26,37-40H,3-4,7,10-16H2,1-2H3,(H,34,41)(H,35,42)(H4,31,32,33)/t19?,20?,22?,23-,24?,25?,26?/m0/s1
InChIKeyZRJNSRDWYFDFAT-RKTRNHPESA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa NIES-298 (ncbitaxon:449468) - DOI (10.1016/s0040-4039(00)76848-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin 298-A (CHEBI:207701) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-hydroxy-1-[(2S)-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
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