UD4

UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose

Created:	2008-05-21
Last modified:	2021-03-13

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2 entries where UD4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	11
Bond Count	68
Aromatic Bond Count	0

2D diagram of UD4

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Chemical Component Summary
Name	UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose
Synonyms	(2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5S,6R)-3-acetamido-5-amino-4-hydroxy-6-methyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Formula	C₁₇ H₂₈ N₄ O₁₅ P₂
Molecular Weight	590.37
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC1OC(C(N)C(O)C1NC(=O)C)C)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
SMILES	CACTVS	3.341	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC(C)=O)[CH](O)[CH]1N
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N
Canonical SMILES	CACTVS	3.341	C[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N
InChI	InChI	1.03	InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8-,10-,11-,12-,13+,14-,15-,16-/m1/s1
InChIKey	InChI	1.03	FUUMLYWEEZBCQR-UINYWEPJSA-N

Related Resource References

Resource Name	Reference
PubChem	24856359
ChEBI	CHEBI:63273

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