EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98118 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(propylcarbamoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

ChEBI IDCHEBI:98118
ChEBI Name2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(propylcarbamoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid
Stars
DownloadsMolfile
FormulaC15H26N2O6
Net Charge0
Average Mass330.381
Monoisotopic Mass330.17909
SMILESCCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21
InChIInChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11+,12-,13+/m0/s1
InChIKeyDUBDZBJJIAHCBK-QNWHQSFQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(propylcarbamoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid (CHEBI:98118) is a oxanes (CHEBI:46942)
Manual XrefsDatabases
LSM-9497LINCS