16-NBD-16:0 Coenzyme A, {N-[(7-nitro-2-1,3-benzoxadiazol-4-yl)-methyl]amino} palmitoyl Coenzyme A (ammonium salt), powder

Compound Identifiers & Properties

PubChem CID

136212468

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-])O.[NH4+].[NH4+].[NH4+]

Canonical SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1OP(=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12.[NH4+].[NH4+].[NH4+]