EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39735 - [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:39735
ChEBI Name[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H26N2O8
Net Charge0
Average Mass350.368
Monoisotopic Mass350.16892
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1
InChIKeyYTYAKGJMNHDUDF-UUWLPUTASA-N
ChEBI Ontology
Outgoing Relation(s)
[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER (CHEBI:39735) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTERPDBeChem
N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylaminePDBeChem
Manual XrefsDatabases
233PDBeChem