Chemical Components in the PDB

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C6D : Summary

Code

C6D

One-letter code

R

Molecule name

N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-5-[[~{N}-(3-oxidanylpropyl)carbamimidoyl]amino]pentanoic acid

Formula

C9 H20 N4 O3

Formal charge

0

Molecular weight

232.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(=O)O)CCCN\C(=N)NCCCO
SMILES CACTVS 3.385 N[CH](CCCNC(=N)NCCCO)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CC(C(=O)O)N)CNC(=N)NCCCO
Canonical SMILES CACTVS 3.385 N[C@@H](CCCNC(=N)NCCCO)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO

IUPAC InChI

InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1

IUPAC InChI key

YCHONDWDFOKMRR-ZETCQYMHSA-N
C6D

wwPDB Information

Atom count

36 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

Yes

Standard parent

ARG

Defined at

2017-09-13

Last modified at

2017-12-08

Status

Released

Obsoleted

Not Assigned