R8T

(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid

Created:	2020-09-18
Last modified:	2020-10-21

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1 entries where R8T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	6
Bond Count	41
Aromatic Bond Count	0

2D diagram of R8T

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Chemical Component Summary
Name	(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
Synonyms	isocarba-DANA
Systematic Name (OpenEye OEToolkits)	(3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
Formula	C₁₂ H₂₁ N O₇
Molecular Weight	291.298
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)N[CH]1[CH](O)C[CH](C[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(CC(CC1O)C(=O)O)C(C(CO)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@@H]1[C@@H](O)C[C@@H](C[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O
InChI	InChI	1.03	InChI=1S/C12H21NO7/c1-5(15)13-10-7(11(18)9(17)4-14)2-6(12(19)20)3-8(10)16/h6-11,14,16-18H,2-4H2,1H3,(H,13,15)(H,19,20)/t6-,7-,8+,9-,10+,11+/m1/s1
InChIKey	InChI	1.03	DHTDKODYGURRPR-UUFBCVLASA-N

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.