CHEBI:149481 - SN-38 carboxylic acid

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ChEBI Name SN-38 carboxylic acid
ChEBI ID CHEBI:149481
Definition A 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the δ-lactone ring of SN-38. It is a metabolite of SN-38.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22N2O6
Net Charge 0
Average Mass 410.426
Monoisotopic Mass 410.14779
InChI InChI=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
InChIKey IRKZFHZUIBLGKU-QFIPXVFZSA-N
SMILES C1(C(=C(C=C2C3=C(CN12)C(=C4C(=N3)C=CC(=C4)O)CC)[C@@](C(=O)O)(O)CC)CO)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug metabolite

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
SN-38 carboxylic acid form ChEBI
SN-38C ChEBI
Citations Waiting for Citations Types Sources
12817897 PubMed citation Europe PMC
22223337 PubMed citation Europe PMC
9103511 PubMed citation Europe PMC
9272733 PubMed citation Europe PMC
Last Modified
16 April 2020