Chemical Components in the PDB

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B8Q : Summary

Code

B8Q

One-letter code

C

Molecule name

3-methyl, cytidine-5'-monophosphate

Systematic names

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

Formula

C10 H18 N3 O8 P

Formal charge

0

Molecular weight

339.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
SMILES OpenEye OEToolkits 2.0.6 CN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N
Canonical SMILES CACTVS 3.385 CN1[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 CN1C(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/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1

IUPAC InChI key

HUUPYGHSEPUDJF-ANZWQOBJSA-N
B8Q

wwPDB Information

Atom count

40 (22 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

2019-04-29

Status

Released

Obsoleted

Not Assigned