MMF

dTDP-3-N-methylamino-3,6-dideoxygalactose

Created:	2014-02-17
Last modified:	2014-02-26

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1 entries where MMF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	8
Bond Count	67
Aromatic Bond Count	0

2D diagram of MMF

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Chemical Component Summary
Name	dTDP-3-N-methylamino-3,6-dideoxygalactose
Systematic Name (OpenEye OEToolkits)	[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula	C₁₇ H₂₉ N₃ O₁₄ P₂
Molecular Weight	561.371
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(O)C(NC)C3O)C)O)O)C
SMILES	CACTVS	3.385	CN[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O
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)NC)O
Canonical SMILES	CACTVS	3.385	CN[C@H]1[C@@H](O)[C@@H](C)O[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]1O
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)NC)O
InChI	InChI	1.03	InChI=1S/C17H29N3O14P2/c1-7-5-20(17(25)19-15(7)24)11-4-9(21)10(32-11)6-30-35(26,27)34-36(28,29)33-16-14(23)12(18-3)13(22)8(2)31-16/h5,8-14,16,18,21-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10-,11-,12+,13+,14-,16-/m1/s1
InChIKey	InChI	1.03	CDWXXXLIBVLVLM-KYQZRJCOSA-N

Related Resource References

Resource Name	Reference
PubChem	72943179

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.