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CHEBI:101845 - (2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid

ChEBI IDCHEBI:101845
ChEBI Name(2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
Stars
DownloadsMolfile
FormulaC23H26N4O5
Net Charge0
Average Mass438.484
Monoisotopic Mass438.19032
SMILESO=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)C1CCCCC1
InChIInChI=1S/C23H26N4O5/c28-11-17-16-10-26-18(7-6-15(22(26)30)14-8-24-12-25-9-14)19(16)27(20(17)23(31)32)21(29)13-4-2-1-3-5-13/h6-9,12-13,16-17,19-20,28H,1-5,10-11H2,(H,31,32)/t16-,17-,19+,20-/m0/s1
InChIKeyQRMANUUKSUBTTM-XEYPJELSSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:101845) is a N-acyl-L-amino acid (CHEBI:21644)
Manual XrefsDatabases
LSM-13207LINCS