5GG
Deoxyhypusine
| Created: | 2015-09-23 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 1 |
| Bond Count | 37 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | Deoxyhypusine |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-6-(4-azanylbutylamino)hexanoic acid |
| Formula | C10 H23 N3 O2 |
| Molecular Weight | 217.309 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)CCCCNCCCCN |
| SMILES | CACTVS | 3.385 | NCCCCNCCCC[CH](N)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCNCCCCN)CC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.385 | NCCCCNCCCC[C@H](N)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C(CCNCCCCN)C[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | PGPFBXMCOQNMJO-VIFPVBQESA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 122083 |
| ChEBI | CHEBI:50038 |














