SDD

D-sorbose

Created:	2012-02-11
Last modified:	2020-06-24

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2 entries where SDD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	3
Bond Count	23
Aromatic Bond Count	0

2D diagram of SDD

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Chemical Component Summary
Name	D-sorbose
Systematic Name (OpenEye OEToolkits)	(3R,4S,5R)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C(O)C(O)C(O)CO)CO
SMILES	CACTVS	3.370	OC[CH](O)[CH](O)[CH](O)C(=O)CO
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(C(C(=O)CO)O)O)O)O
Canonical SMILES	CACTVS	3.370	OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1
InChIKey	InChI	1.03	BJHIKXHVCXFQLS-PYWDMBMJSA-N

Related Resource References

Resource Name	Reference
PubChem	107428
ChEBI	CHEBI:13022

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.