Chemical Components in the PDB

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RSQ : Summary

Code

RSQ

One-letter code

C

Molecule name

5-formylcytidine 5'-(dihydrogen phosphate)

Systematic names

ProgramVersionName
ACDLabs 12.01 5-formylcytidine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.7.6 [(2R,3S,4R,5R)-5-(4-azanyl-5-methanoyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H14 N3 O9 P

Formal charge

0

Molecular weight

351.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C1)=O)O2)O)O)=O
SMILES CACTVS 3.385 NC1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C=O
Canonical SMILES CACTVS 3.385 NC1=NC(=O)N(C=C1C=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O

IUPAC InChI

InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1

IUPAC InChI key

ANRZHYHASGTOLD-JXOAFFINSA-N
RSQ

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

C

Defined at

2010-01-25

Last modified at

2016-02-04

Status

Released

Obsoleted

Not Assigned