EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122477 - 1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea

ChEBI IDCHEBI:122477
ChEBI Name1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
Stars
DownloadsMolfile
FormulaC17H30N4O4
Net Charge0
Average Mass354.451
Monoisotopic Mass354.22671
SMILESCCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO
InChIInChI=1S/C17H30N4O4/c1-3-6-18-17(24)19-14-5-4-13(25-15(14)12-22)11-16(23)21-9-7-20(2)8-10-21/h4-5,13-15,22H,3,6-12H2,1-2H3,(H2,18,19,24)/t13-,14-,15-/m1/s1
InChIKeyAVCGIXMUPLIHTE-RBSFLKMASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea (CHEBI:122477) is a N-methylpiperazine (CHEBI:46920)
Manual XrefsDatabases
LSM-33920LINCS