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InChIKey | XWCFYHBHOFBVIV-JWKOBGCHSA-M |
InChI | InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/p-1/t7-,9-,12-/m1/s1 |
SMILES | [NH3+][C@H](CCCC(=O)N[C@H]1[C@H]2SCC(CO)=C(N2C1=O)C([O-])=O)C([O-])=O |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 7 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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chebi:18065 | deacetylcephalosporin C (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Deacetylcephalosporin C |
seedM:cpd01995 | Deacetylcephalosporin C deacetylcephalosporin C deacetylcephalosporin-C |
metacycM:DEACETYLCEPHALOSPORIN-C | deacetylcephalosporin C |
chebi:58366 | deacetylcephalosporin C (6R,7R)-7-{[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate deacetylcephalosporin C anion deacetylcephalosporin C(1-) |
keggC:C03112 sabiorkM:6456 | Deacetylcephalosporin C |
chebi:14100 chebi:23564 chebi:4336 keggC:M_C03112 seedM:M_cpd01995 | secondary/obsolete/fantasy identifier |