EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100160 - (2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:100160
ChEBI Name(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
Stars
DownloadsMolfile
FormulaC25H32N6O3
Net Charge0
Average Mass464.570
Monoisotopic Mass464.25359
SMILESCN1CCN(C(=O)[C@@H]2[C@@H](CO)[C@@H]3Cn4c(ccc(-c5cncnc5)c4=O)[C@@H]3N2CC2CC2)CC1
InChIInChI=1S/C25H32N6O3/c1-28-6-8-29(9-7-28)25(34)23-20(14-32)19-13-30-21(22(19)31(23)12-16-2-3-16)5-4-18(24(30)33)17-10-26-15-27-11-17/h4-5,10-11,15-16,19-20,22-23,32H,2-3,6-9,12-14H2,1H3/t19-,20-,22+,23-/m0/s1
InChIKeyNKEKVCULWNFMKR-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:100160) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-11537LINCS