0FX

dTDP-4-amino-4,6-dideoxyglucose

Created:	2012-01-04
Last modified:	2012-01-04

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10 entries where 0FX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	8
Bond Count	64
Aromatic Bond Count	0

2D diagram of 0FX

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Chemical Component Summary
Name	dTDP-4-amino-4,6-dideoxyglucose
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5S,6R)-5-azanyl-6-methyl-3,4-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula	C₁₆ H₂₇ N₃ O₁₄ P₂
Molecular Weight	547.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C
SMILES	CACTVS	3.370	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N
SMILES	OpenEye OEToolkits	1.7.6	CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
Canonical SMILES	CACTVS	3.370	C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1N
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
InChI	InChI	1.03	InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1
InChIKey	InChI	1.03	UIVJXHWSIFBBCY-LPGAPTBISA-N

Related Resource References

Resource Name	Reference
PubChem	16757114
ChEBI	CHEBI:68523

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