EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46107 - 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL

Default Structure
ChEBI IDCHEBI:46107
ChEBI Name2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H22N4O4
Net Charge0
Average Mass382.420
Monoisotopic Mass382.16411
SMILES[H]/N=C(/c1c([H])c([H])c([H])c(O[C@@]2([H])C([H])([H])O[C@@]3([H])[C@]2([H])OC([H])([H])[C@@]3([H])Oc2c([H])c([H])c([H])c(/C(=N\[H])N([H])[H])c2[H])c1[H])N([H])[H]
InChIInChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
InChIKeyIBIUTOFGXGGVKQ-XMTFNYHQSA-N
ChEBI Ontology
Outgoing Relation(s)
2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL (CHEBI:46107) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,4:3,6-dianhydro-2,5-bis-O-(3-carbamimidoylphenyl)-D-glucitolPDBeChem
2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOLPDBeChem
Manual XrefsDatabases
TL1PDBeChem