CHEBI:97315 - (2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid

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ChEBI Name (2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
ChEBI ID CHEBI:97315
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H20FN3O5
Net Charge 0
Average Mass 449.432
Monoisotopic Mass 449.13870
InChI InChI=1S/C24H20FN3O5/c25-14-5-3-4-13(10-14)15-7-8-19-20-16(11-27(19)22(15)30)17(12-29)21(24(32)33)28(20)23(31)18-6-1-2-9-26-18/h1-10,16-17,20-21,29H,11-12H2,(H,32,33)/t16-,17-,20+,21-/m0/s1
InChIKey PPTZIPDIUOVGPF-PZBISTMVSA-N
SMILES C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)C5=CC=CC=N5)C(=O)O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97315) is a carboxylic acid (CHEBI:33575)
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97315) is a organic heterotricyclic compound (CHEBI:26979)
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97315) is a tertiary carboxamide (CHEBI:140326)
Manual Xref Database
LSM-8694 LINCS
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Last Modified
09 March 2018