Chemical Components in the PDB

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MUM : Summary

Code

MUM

One-letter code

X

Molecule name

5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine

Systematic names

ProgramVersionName
ACDLabs 12.01 5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
OpenEye OEToolkits 2.0.6 [(2~{R},3~{S},4~{R},5~{R})-5-[(5~{R})-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphite

Formula

C10 H17 N2 O8 P

Formal charge

0

Molecular weight

324.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C
SMILES CACTVS 3.385 C[CH]1CN([CH]2O[CH](COP(O)O)[CH](O)[CH]2O)C(=O)NC1=O
SMILES OpenEye OEToolkits 2.0.6 CC1CN(C(=O)NC1=O)C2C(C(C(O2)COP(O)O)O)O
Canonical SMILES CACTVS 3.385 C[C@@H]1CN([C@@H]2O[C@H](COP(O)O)[C@@H](O)[C@H]2O)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O

IUPAC InChI

InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1

IUPAC InChI key

DIQYSSQJRBHEDN-DMKSXPFUSA-N
MUM

wwPDB Information

Atom count

38 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-04

Last modified at

2018-10-19

Status

Released

Obsoleted

Not Assigned