CNP
Summary
| Name: | 2-propenyl-N-acetyl-neuraminic acid |
| Synonyms: | 2-PROPENYL-N-ACETYL-NEURAMIC ACID |
| Formula: | C14 H23 N O8 |
| Formal charge: | 0 |
| Formula weight: | 333.334 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-prop-2-enyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)C[C@@](CC=C)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)C[C](CC=C)(O[CH]1[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(CC=C)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | IUGVDRFIVSPVGO-KXEMTNKZSA-N |
