CHEBI:100689 - 1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
ChEBI ID CHEBI:100689
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H25N3O3
Net Charge 0
Average Mass 259.346
Monoisotopic Mass 259.18959
InChI InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10+,11+/m0/s1
InChIKey RKCCKXKETMZMSY-HBNTYKKESA-N
SMILES CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCN
ChEBI Ontology
Outgoing 1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea (CHEBI:100689) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-12063 LINCS
View more database links