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CHEBI:8989 - SN-38 carboxylate

ChEBI IDCHEBI:8989
ChEBI NameSN-38 carboxylate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of SN-38 carboxylic acid, obtained from the deprotonation of the carboxy group. It is the major microspecies at pH 7.3.
Last Modified20 April 2020
DownloadsMolfile
FormulaC22H21N2O6
Net Charge-1
Average Mass409.418
Monoisotopic Mass409.14051
SMILESCCc1c2c(nc3ccc(O)cc13)-c1cc([C@@](O)(CC)C(=O)[O-])c(CO)c(=O)n1C2
InChIInChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1
InChIKeyIRKZFHZUIBLGKU-QFIPXVFZSA-M
ChEBI Ontology
Outgoing Relation(s)
SN-38 carboxylate (CHEBI:8989) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
SN-38 carboxylate (CHEBI:8989) is conjugate base of SN-38 carboxylic acid (CHEBI:149481)
Incoming Relation(s)
SN-38 carboxylic acid (CHEBI:149481) is conjugate acid of SN-38 carboxylate (CHEBI:8989)
IUPAC Name 
(2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate
Synonyms  Source
SN-38 carboxylate formKEGG COMPOUND
SN-38 carboxylic acid anionChEBI
Manual XrefsDatabases
C11366KEGG COMPOUND
Citations