CHEBI:98799 - (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
ChEBI ID CHEBI:98799
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H27N3O5
Net Charge 0
Average Mass 449.500
Monoisotopic Mass 449.19507
InChI InChI=1S/C25H27N3O5/c1-33-25(32)23-19(14-29)18-13-27-20(9-8-17(24(27)31)16-6-2-3-7-16)22(18)28(23)21(30)11-15-5-4-10-26-12-15/h4-6,8-10,12,18-19,22-23,29H,2-3,7,11,13-14H2,1H3/t18-,19-,22+,23-/m0/s1
InChIKey MVZYZZDTAGMQFB-LBVMUVSTSA-N
SMILES COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)CC5=CN=CC=C5)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:98799) is a methyl ester (CHEBI:25248)
(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:98799) is a organic heterotricyclic compound (CHEBI:26979)
(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:98799) is a tertiary carboxamide (CHEBI:140326)
Manual Xref Database
LSM-10178 LINCS
View more database links
Last Modified
09 March 2018