CHEBI:97542 - (2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
ChEBI ID CHEBI:97542
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H23N3O5
Net Charge 0
Average Mass 361.393
Monoisotopic Mass 361.16377
InChI InChI=1S/C18H23N3O5/c22-9-12-11-8-20-13(6-3-7-14(20)23)15(11)21(16(12)17(24)25)18(26)19-10-4-1-2-5-10/h3,6-7,10-12,15-16,22H,1-2,4-5,8-9H2,(H,19,26)(H,24,25)/t11-,12-,15+,16-/m0/s1
InChIKey HAYQQCQIMZIRJI-RKLWJJNISA-N
SMILES C1CCC(C1)NC(=O)N2[C@@H]3[C@@H](CN4C3=CC=CC4=O)[C@@H]([C@H]2C(=O)O)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97542) has functional parent α-amino acid (CHEBI:33704)
(2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97542) is a organonitrogen compound (CHEBI:35352)
(2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:97542) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-8921 LINCS
View more database links