Chemical Components in the PDB

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AAB : Summary

Code

AAB

One-letter code

X

Molecule name

2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE

Synonyms

ABASIC DEOXYRIBOSE

Systematic names

ProgramVersionName
ACDLabs 12.01 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose
OpenEye OEToolkits 1.7.6 [(2R,3S,5R)-3,5-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C5 H11 O7 P

Formal charge

0

Molecular weight

214.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(OCC1OC(O)CC1O)(O)O
SMILES CACTVS 3.385 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1
SMILES OpenEye OEToolkits 1.7.6 C1C(C(OC1O)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.385 O[C@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1

IUPAC InChI key

KKZFLSZAWCYPOC-VPENINKCSA-N
AAB

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA LINKING

Type code

ATOMN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned