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CHEBI:149481 - SN-38 carboxylic acid

ChEBI IDCHEBI:149481
ChEBI NameSN-38 carboxylic acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the δ-lactone ring of SN-38. It is a metabolite of SN-38.
Last Modified16 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H22N2O6
Net Charge0
Average Mass410.426
Monoisotopic Mass410.14779
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)/t22-/m0/s1
InChIKeyIRKZFHZUIBLGKU-QFIPXVFZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
SN-38 carboxylic acid (CHEBI:149481) has functional parent SN-38 (CHEBI:8988)
SN-38 carboxylic acid (CHEBI:149481) has role drug metabolite (CHEBI:49103)
SN-38 carboxylic acid (CHEBI:149481) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
SN-38 carboxylic acid (CHEBI:149481) is a enone (CHEBI:51689)
SN-38 carboxylic acid (CHEBI:149481) is a organic heterotetracyclic compound (CHEBI:38163)
SN-38 carboxylic acid (CHEBI:149481) is a organonitrogen heterocyclic compound (CHEBI:38101)
SN-38 carboxylic acid (CHEBI:149481) is a phenols (CHEBI:33853)
SN-38 carboxylic acid (CHEBI:149481) is a primary alcohol (CHEBI:15734)
SN-38 carboxylic acid (CHEBI:149481) is a tertiary alcohol (CHEBI:26878)
SN-38 carboxylic acid (CHEBI:149481) is conjugate acid of SN-38 carboxylate (CHEBI:8989)
Incoming Relation(s)
SN-38 carboxylate (CHEBI:8989) is conjugate base of SN-38 carboxylic acid (CHEBI:149481)
IUPAC Name 
(2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Synonyms  Source
SN-38CChEBI
SN-38 carboxylic acid formChEBI
Citations