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UZR : Summary

Code

UZR

One-letter code

U

Molecule name

2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yluridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.7.2 azanylidene-[(2R,3R,4S,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl]imino-azanium

Formula

C9 H13 N5 O8 P

Formal charge

1

Molecular weight

350.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[N+]=[N@H])C2O
SMILES CACTVS 3.370 O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1N=[N+]=N)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.7.2 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=N
Canonical SMILES CACTVS 3.370 O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N

IUPAC InChI

InChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

FKBDCNLBVFTTRL-XVFCMESISA-O
UZR

wwPDB Information

Atom count

36 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

U

Defined at

2011-06-08

Last modified at

2012-04-06

Status

Released

Obsoleted

Not Assigned