P1C

DEACETOXYCEPHALOSPORIN-C

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	DEACETOXYCEPHALOSPORIN-C
Identifiers	(6R,7R)-7-[[(5R)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula	C₁₄ H₁₉ N₃ O₆ S
Molecular Weight	357.382
Type	NON-POLYMER
Isomeric SMILES	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O
InChI	InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
InChIKey	NNQIJOYQWYKBOW-JWKOBGCHSA-N

Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB03938
Name	Deacetoxycephalosporin C
Groups	experimental
Synonyms	DAOC Deacetoxycephalosporin-C Deacetoxycephalosporin C De(acetyloxy)cephalosporin C
Categories	Agents that reduce seizure threshold Amides beta-Lactams Heterocyclic Compounds, Fused-Ring Lactams Sulfur Compounds Thiazines
CAS number	26924-74-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Deacetoxycephalosporin C synthase	MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682