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CHEBI:209174 - (2R)-3-[[(2R)-2-carboxy-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]ethyl]disulanyl]-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid

ChEBI IDCHEBI:209174
ChEBI Name(2R)-3-[[(2R)-2-carboxy-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]ethyl]disulanyl]-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24N6O10S2
Net Charge0
Average Mass716.710
Monoisotopic Mass716.09953
SMILESO=C(N[C@@H](CSSC[C@H](NC(=O)c1coc(-c2nc3ccccc3cc2O)n1)C(=O)O)C(=O)O)c1coc(-c2nc3ccccc3cc2O)n1
InChIInChI=1S/C32H24N6O10S2/c39-23-9-15-5-1-3-7-17(15)33-25(23)29-37-19(11-47-29)27(41)35-21(31(43)44)13-49-50-14-22(32(45)46)36-28(42)20-12-48-30(38-20)26-24(40)10-16-6-2-4-8-18(16)34-26/h1-12,21-22,39-40H,13-14H2,(H,35,41)(H,36,42)(H,43,44)(H,45,46)/t21-,22-/m0/s1
InChIKeyGLIUKFPZRDBCLR-VXKWHMMOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30297652)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R)-3-[[(2R)-2-carboxy-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]ethyl]disulanyl]-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid (CHEBI:209174) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2R)-3-[[(2R)-2-carboxy-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]ethyl]disulanyl]-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
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