Chemical Components in the PDB

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E3C : Summary

Code

E3C

One-letter code

C

Molecule name

3-ethyl, cytidine-5'-monophosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-ethyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H20 N3 O8 P

Formal charge

0

Molecular weight

353.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
SMILES OpenEye OEToolkits 2.0.6 CCN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N
Canonical SMILES CACTVS 3.385 CCN1[C@H](N)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N

IUPAC InChI

InChI=1S/C11H20N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6-10,15-16H,2,5,12H2,1H3,(H2,18,19,20)/t6-,7?,8-,9-,10-/m1/s1

IUPAC InChI key

PFBPABKTMDMXDL-HXURKHJASA-N
E3C

wwPDB Information

Atom count

43 (23 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

C

Defined at

2017-09-25

Last modified at

2019-05-02

Status

Released

Obsoleted

Not Assigned