R2T
beta,gamma-dihydroxyglutamine
Created: | 2014-01-29 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 3 |
Bond Count | 21 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | beta,gamma-dihydroxyglutamine |
Systematic Name (OpenEye OEToolkits) | (2S,3R,4S)-2,5-bis(azanyl)-3,4-bis(oxidanyl)-5-oxidanylidene-pentanoic acid |
Formula | C5 H10 N2 O5 |
Molecular Weight | 178.143 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)C(O)C(O)C(C(=O)O)N |
SMILES | CACTVS | 3.370 | N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(=O)O)N)(C(C(=O)N)O)O |
Canonical SMILES | CACTVS | 3.370 | N[C@@H]([C@@H](O)[C@H](O)C(N)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | [C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O |
InChI | InChI | 1.03 | InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1 |
InChIKey | InChI | 1.03 | KNSJPVSCCDSEJI-MGGFGJSXSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349923 |