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cephalosporin C

Properties

Image

Occurences in reactions

MNX_ID

MNXM1321

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₁₆H₂₀N₃O₈S

charge

-1

mass

414.41142

reference

chebi:57511

InChIKey

HOKIDJSKDBPKTQ-GLXFQSAKSA-M

InChI

InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p-1/t9-,11-,14-/m1/s1

SMILES

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C2=O)C([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57511 chebi:57511	cephalosporin C (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate cephalosporin C anion cephalosporin C(1-)
sabiork.compound:5314 sabiorkM:5314 kegg.compound:C00916 keggC:C00916	Cephalosporin C
hmdb:HMDB0060450	Cephalosporin C (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(5-amino-5-carboxyvaleramido)Cephalosporanate 7-(5-amino-5-carboxyvaleramido)Cephalosporanic acid Cephalosporin C hydrochloride Cephalosporin C, monosodium salt Cephalosporin C, monosodium salt, (6R-(6alpha,7beta))-isomer Cephalosporin C, monozinc salt Cephalosporin C, potassium salt Cephalosporin C, potassium salt, (6R-(6alpha,7beta(s*)))-isomer Cephalosporin C, sodium salt Cephalosporin C, sodium salt, (6R-(6alpha,7beta))-isomer Cephalosporin C, zinc salt cephalosporin C
seed.compound:cpd00679 seedM:cpd00679	Cephalosporin C cephalosporin C cephalosporin-C
metacyc.compound:CEPHALOSPORIN-C metacycM:CEPHALOSPORIN-C	cephalosporin C
CHEBI:15776 chebi:15776	cephalosporin C (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid Cephalosporin C
hmdb:HMDB60450 chebi:13953 chebi:23065 chebi:3539 keggC:M_C00916 seedM:M_cpd00679	secondary/obsolete/fantasy identifier