RSH

3-DEOXY-D-LYXO-HEXONIC ACID

Created:	2004-07-19
Last modified:	2024-09-27

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2 entries where RSH is covalently linked to polymer or other heterogen groups

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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 RSH

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Chemical Component Summary
Name	3-DEOXY-D-LYXO-HEXONIC ACID
Synonyms	D-2-KETO-3-DEOXYGALACTONATE
Systematic Name (OpenEye OEToolkits)	(2S,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(O)CC(O)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)[CH](O)C[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(CO)O)O)C(C(=O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H](O)[C@H](O)C[C@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1
InChIKey	InChI	1.03	YGMNHEPVTNXLLS-MROZADKFSA-N

Drug Info: DrugBank

DrugBank ID	DB02807
Name	3-deoxy-D-lyxo-hexonic acid
Groups	experimental
Synonyms	D-2-keto-3-deoxygalactonate 3-deoxy-D-lyxo-hexonic acid

Related Resource References

Resource Name	Reference
PubChem	5289313

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.