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deacetylcephalosporin C

PropertiesImageOccurences in reactions
MNX_IDMNXM1081Image of MNXM1081
#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
formulaC14H18N3O7S
charge-1
mass372.37474
referencechebi:58366
InChIKeyXWCFYHBHOFBVIV-JWKOBGCHSA-M
InChIInChI=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
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58366
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-)
sabiork.compound:6456
sabiorkM:6456
kegg.compound:C03112
keggC:C03112
Deacetylcephalosporin C
seed.compound:cpd01995
seedM:cpd01995
Deacetylcephalosporin C
deacetylcephalosporin C
deacetylcephalosporin-C
metacyc.compound:DEACETYLCEPHALOSPORIN-C
metacycM:DEACETYLCEPHALOSPORIN-C
deacetylcephalosporin C
CHEBI:18065
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
chebi:14100
chebi:23564
chebi:4336
keggC:M_C03112
seedM:M_cpd01995
secondary/obsolete/fantasy identifier