Depositor: MMDB
External ID: 33071.4

UPG

Molecular Weight	566.301782 [g/mol]
Molecular Formula	C15H24N2O17P2
XLogP3	-6.3
H-Bond Donor	9
H-Bond Acceptor	17
Rotatable Bond Count	9
Tautomer Count	3
Exact Mass	566.05502
MonoIsotopic Mass	566.05502
Topological Polar Surface Area	292
Heavy Atom Count	36
Formal Charge	0
Complexity	964
Isotope Atom Count	0
Defined Atom StereoCenter Count	9
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,
4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen
phosphate
Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)
O
Isomeric SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]
3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,
29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,
5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,
10+,11-,12-,13-,14-/m1/s1
InChIKey: HSCJRCZFDFQWRP-JZMIEXBBSA-N

SID 855419   
CID 8629   
Related Substances:

Similar Substances: 963 Links

PDB Accession Code 1ZDF
Ser162 Mutant Of Glycogenin Complexed With Udp-Glucose And Manganese
Transferase
Ser162 Mutant Of Glycogenin Complexed With Udp-Glucose And Manganese Glycosyltransferase Mol_id: 1; Molecule: Glycogenin-1; Chain: A; Ec: 2.4.1.186; Engineered: Yes; Mutation: Yes