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penicillin N

Properties

Image

Occurences in reactions

MNX_ID

MNXM2027

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₄H₂₀N₃O₆S

charge

-1

mass

358.39122

reference

chebi:58408

InChIKey

MIFYHUACUWQUKT-GPUHXXMPSA-M

InChI

InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/p-1/t6-,8-,9+,11-/m1/s1

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C(=O)N2[C@H]1C([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58408 chebi:58408	penicillin N (2S,5R,6R)-6-{[(5R)-5-ammonio-5-carboxylatopentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 6beta-[(5R)-5-ammonio-5-carboxylatopentanamido]-2,2-dimethylpenam-3alpha-carboxylate penicillin N anion penicillin N(1-)
sabiork.compound:8732 sabiorkM:8732	Penicillin N
kegg.compound:C06564 keggC:C06564	Penicillin N Adicillin
seed.compound:cpd03972 seedM:cpd03972	Penicillin N Adicillin penicillin N
metacyc.compound:PENICILLIN-N metacycM:PENICILLIN-N	penicillin N
CHEBI:18203 chebi:18203	penicillin N (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6beta-[(5R)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid Penicillin N adicillin cephalosporin N
chebi:14744 chebi:25867 chebi:7964 keggC:M_C06564 seedM:M_cpd03972	secondary/obsolete/fantasy identifier