ZM1
Summary
Name: | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose |
Formula: | C8 H16 N O8 P |
Formal charge: | 0 |
Formula weight: | 285.188 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose |
OpenEye OEToolkits | 2.0.7 | [(3~{R},4~{R},5~{S})-5-acetamido-3,4-bis(oxidanyl)-6-oxidanylidene-hexyl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O |
InChI | InChI | 1.03 | InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | SJEDNRVDWMBCDP-BWZBUEFSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)CCO[P](O)(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O |