Chemical Component Summary

Name6-butanoyl-trehalose
Identifiers[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl ]methyl butanoate
FormulaC16 H28 O12
Molecular Weight412.386
TypeSACCHARIDE
Isomeric SMILESCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChIInChI=1S/C16H28O12/c1-2-3-8(18)25-5-7-10(20)12(22)14(24)16(27-7)28-15-13(23)11(21)9(19)6(4-17)26-15/h6-7,9-17,19-24H,2- 5H2,1H3/t6-,7-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
InChIKeyABZAHDFZCAECDK-IIICIJGYSA-N
CompositionPolymer Sequences: GLC-U8V
BIRD classSUBSTRATE ANALOG
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count10
Bond Count57
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137348277