Chemical Components in the PDB

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RY : Summary

Code

RY

One-letter code

X

Molecule name

5'-3,6-dihydrocytidylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 5'-3,6-dihydrocytidylic acid
OpenEye OEToolkits 2.0.6 [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H16 N3 O8 P

Formal charge

0

Molecular weight

325.212 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 P(O)(OCC1OC(C(C1O)O)N2CC=C(NC2=O)N)(O)=O
SMILES CACTVS 3.385 NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1
SMILES OpenEye OEToolkits 2.0.6 C1C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N
Canonical SMILES CACTVS 3.385 NC1=CCN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N

IUPAC InChI

InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

NWPXZYGTNOANAA-XVFCMESISA-N
RY

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-06

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned