EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:182135 - Madurastatin B2

ChEBI IDCHEBI:182135
ChEBI NameMadurastatin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NO5
Net Charge0
Average Mass225.200
Monoisotopic Mass225.06372
SMILESO=C(N[C@H](CO)C(=O)O)c1ccccc1O
InChIInChI=1S/C10H11NO5/c12-5-7(10(15)16)11-9(14)6-3-1-2-4-8(6)13/h1-4,7,12-13H,5H2,(H,11,14)(H,15,16)/t7-/m1/s1
InChIKeySAEFXOJAEDXDBM-SSDOTTSWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Madurastatin B2 (CHEBI:182135) has functional parent N-benzoylglycine (CHEBI:18089)
Madurastatin B2 (CHEBI:182135) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid
Manual XrefsDatabases
9543020ChemSpider