EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:100798 - (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:100798
ChEBI Name(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
Stars
DownloadsMolfile
FormulaC26H29N5O4
Net Charge0
Average Mass475.549
Monoisotopic Mass475.22195
SMILESO=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1cocn1)N1CCCCC1
InChIInChI=1S/C26H29N5O4/c32-14-21-20-13-30-22(5-4-19(25(30)33)17-6-8-27-9-7-17)23(20)31(12-18-15-35-16-28-18)24(21)26(34)29-10-2-1-3-11-29/h4-9,15-16,20-21,23-24,32H,1-3,10-14H2/t20-,21-,23+,24-/m1/s1
InChIKeyKRPKJWJGWXBFEA-CJTFWIGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:100798) is a bipyridines (CHEBI:50511)
Manual XrefsDatabases
LSM-12172LINCS