Chemical Components in the PDB

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19N : Summary

Code

19N

One-letter code

X

Molecule name

[(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid
OpenEye OEToolkits 1.7.6 [(1R)-1-azanyl-5-carbamimidamido-pentyl]phosphonic acid

Formula

C6 H17 N4 O3 P

Formal charge

0

Molecular weight

224.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)C(N)CCCCNC(=[N@H])N
SMILES CACTVS 3.370 N[CH](CCCCNC(N)=N)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CCNC(=N)N)CC(N)P(=O)(O)O
Canonical SMILES CACTVS 3.370 N[C@@H](CCCCNC(N)=N)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C6H17N4O3P/c7-5(14(11,12)13)3-1-2-4-10-6(8)9/h5H,1-4,7H2,(H4,8,9,10)(H2,11,12,13)/t5-/m1/s1

IUPAC InChI key

GAZYHWYZAQCLLA-RXMQYKEDSA-N
19N

wwPDB Information

Atom count

31 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-15

Last modified at

2013-06-07

Status

Released

Obsoleted

Not Assigned