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CHEBI:192526 - ochratoxin B(1−)

ChEBI IDCHEBI:192526
ChEBI Nameochratoxin B(1−)
Stars
ASCII Nameochratoxin B(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of ochratoxin B resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified5 August 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H18NO6
Net Charge-1
Average Mass368.365
Monoisotopic Mass368.11396
SMILESC[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1
InChIInChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/p-1/t11-,15+/m1/s1
InChIKeyDAEYIVCTQUFNTM-ABAIWWIYSA-M
ChEBI Ontology
Outgoing Relation(s)
ochratoxin B(1−) (CHEBI:192526) is a monocarboxylic acid anion (CHEBI:35757)
ochratoxin B(1−) (CHEBI:192526) is conjugate base of ochratoxin B (CHEBI:141524)
Incoming Relation(s)
ochratoxin B (CHEBI:141524) is conjugate acid of ochratoxin B(1−) (CHEBI:192526)
IUPAC Name 
(2S)-2-({[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}amino)-3-phenylpropanoate
Synonyms  Source
ochratoxin B anionChEBI
(2S)-2-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoateIUPAC
UniProt Name  Source
ochratoxin BUniProt
Manual XrefsDatabases
CPD-22715MetaCyc
Citations