PYX
S-[S-THIOPYRIDOXAMINYL]CYSTEINE
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 36 |
| Chiral Atom Count | 1 |
| Bond Count | 36 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | S-[S-THIOPYRIDOXAMINYL]CYSTEINE |
| Systematic Name (OpenEye OEToolkits) | (2R)-2-amino-3-[[4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methyldisulfanyl]propanoic acid |
| Formula | C11 H17 N3 O3 S2 |
| Molecular Weight | 303.401 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C |
| SMILES | CACTVS | 3.341 | Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O |
| Canonical SMILES | CACTVS | 3.341 | Cc1ncc(CSSC[C@H](N)C(O)=O)c(CN)c1O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | GNMYVMXAEUCEOO-VIFPVBQESA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 49867550 |
