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CHEBI:216986 - 2-amino-8-oxo-9-hydroxydecanoic acid

ChEBI IDCHEBI:216986
ChEBI Name2-amino-8-oxo-9-hydroxydecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40N4O6
Net Charge0
Average Mass528.650
Monoisotopic Mass528.29478
SMILESC[C@@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O
InChIInChI=1S/C28H40N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-22,33H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-/m1/s1
InChIKeyUXOLDMJAFJDQSE-RYFAJOAYSA-N
Species of MetaboliteComponentSourceComments
[Verticillium coccosporum (ncbitaxon:93590) - DOI (10.1016/0040-4039(94)88061-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-amino-8-oxo-9-hydroxydecanoic acid (CHEBI:216986) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,12R)-3-benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
8567633ChemSpider