Chemical Components in the PDB

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0TK : Summary

Code

0TK

One-letter code

X

Molecule name

(2R)-2,5-diaminopentanoyl dihydrogen phosphate

Synonyms

phosphorylated D-ornithine

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2,5-diaminopentanoyl dihydrogen phosphate
OpenEye OEToolkits 1.7.6 phosphono (2R)-2,5-bis(azanyl)pentanoate

Formula

C5 H13 N2 O5 P

Formal charge

0

Molecular weight

212.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(OC(=O)C(N)CCCN)(O)O
SMILES CACTVS 3.370 NCCC[CH](N)C(=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CC(C(=O)OP(=O)(O)O)N)CN
Canonical SMILES CACTVS 3.370 NCCC[C@@H](N)C(=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(C[C@H](C(=O)OP(=O)(O)O)N)CN

IUPAC InChI

InChI=1S/C5H13N2O5P/c6-3-1-2-4(7)5(8)12-13(9,10)11/h4H,1-3,6-7H2,(H2,9,10,11)/t4-/m1/s1

IUPAC InChI key

MNDHJWIHMSHXOW-SCSAIBSYSA-N
0TK

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-06

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned