Chemical Components in the PDB

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M1Y : Summary

Code

M1Y

One-letter code

X

Molecule name

(1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol
OpenEye OEToolkits 2.0.6 [(2~{R},3~{R},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H15 N2 O9 P

Formal charge

0

Molecular weight

338.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN2C(=O)NC(=O)C(C1C(O)C(O)C(COP(=O)(O)O)O1)=C2
SMILES CACTVS 3.385 CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O
SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 CN1C=C([C@@H]2O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H]2O)C(=O)NC1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6+,7-,8+/m1/s1

IUPAC InChI key

VORAOZTXNOXTGQ-CWKFCGSDSA-N
M1Y

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-13

Last modified at

2017-12-01

Status

Released

Obsoleted

Not Assigned