deacetylcephalosporin C

Properties MNX_ID MNXM1081 formula C14H18N3O7S charge -1 mass 372.37474 reference chebi:58366

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

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	7
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources

Identifier	Description
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