TDO

DTDP-4-KETO-L-RHAMNOSE

Created:	2006-07-08
Last modified:	2011-06-04

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2 entries where TDO is found as a standalone ligand1 entries where TDO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	9
Bond Count	61
Aromatic Bond Count	6

2D diagram of TDO

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Chemical Component Summary
Name	DTDP-4-KETO-L-RHAMNOSE
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxo-oxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Formula	C₁₆ H₂₄ N₂ O₁₅ P₂
Molecular Weight	546.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(O)C(O)C(OC1C)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O
SMILES	CACTVS	3.341	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)C1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O
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[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@H](O)C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O
InChI	InChI	1.03	InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1
InChIKey	InChI	1.03	PSXWNITXWWECNY-LPVGZGSHSA-N

Related Resource References

Resource Name	Reference
PubChem	443211
ChEBI	CHEBI:45868

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