PRD_900116

4beta-beta-xylobiose

Created:	2020-05-08
Last modified:	2020-07-29

PRD_900116 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6RV8.

Find Related PDB Entries
64 entries where PRD_900116 is present

Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	8
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	4beta-beta-xylobiose
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R},4~{S},5~{R})-2-[(3~{R},4~{R},5~{R},6~{R})-4,5,6-tris(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol
Formula	C₁₀ H₁₈ O₉
Molecular Weight	282.245
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1C(C(O)C(OC1)OC2COC(O)C(C2O)O)O
SMILES	CACTVS	3.385	O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
InChIKey	InChI	1.03	LGQKSQQRKHFMLI-SJYYZXOBSA-N

Related Resource References

Resource Name	Reference
PubChem	5289595

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