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CHEBI:200457 - Aeruginosin DA511

ChEBI IDCHEBI:200457
ChEBI NameAeruginosin DA511
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O7
Net Charge0
Average Mass511.575
Monoisotopic Mass511.23185
SMILESNC(=O)[C@@H]1C[C@@H]2CC[C@H](O)C[C@@H]2N1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C27H33N3O7/c28-25(35)23-13-17-5-10-20(33)14-22(17)30(23)27(37)21(11-15-1-6-18(31)7-2-15)29-26(36)24(34)12-16-3-8-19(32)9-4-16/h1-4,6-9,17,20-24,31-34H,5,10-14H2,(H2,28,35)(H,29,36)/t17-,20-,21+,22-,23-,24+/m0/s1
InChIKeyUYAGLGONOYOGBB-QECFBVRUSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (24261937)
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 DA511 (CHEBI:200457) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,3aS,6S,7aS)-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
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31130291ChemSpider