**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

penicillin N

Properties Image MNX_ID MNXM2027 reference chebi:58408 formula C14H20N3O6S global charge -1 mol weight 358.396 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-] MNX internals InChI (mnx) InChI=1/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)/t6-,8-,9+,11-/m1/s1 SMILES (mnx) [CH:1]12[CH:2]([C:5]([CH3:7])=[CH2:8])[O:22]([OH:21])([OH:23])[CH2:4][S@@H:24]1[C@H:3]([CH2:6][C:9]([CH2:10][NH:16][CH2:11][C@@H:12]([C:13]([CH3:14])=[NH:15])[OH:18])=[NH:17])[O:19]2=[O:20]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58408 chebi:58408 MIFYHUACUWQUKT-GPUHXXMPSA-M	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 vmhM:penn vmhM:penn vmhmetabolite:penn vmhmetabolite:penn MIFYHUACUWQUKT-GPUHXXMPSA-N	Penicillin N
kegg.compound:C06564 keggC:C06564 MIFYHUACUWQUKT-GPUHXXMPSA-N	Penicillin N Adicillin
seed.compound:cpd03972 seedM:cpd03972 MIFYHUACUWQUKT-GPUHXXMPSA-M	Penicillin N Adicillin penicillin N
metacyc.compound:PENICILLIN-N metacycM:PENICILLIN-N MIFYHUACUWQUKT-GPUHXXMPSA-M	penicillin N
CHEBI:18203 chebi:18203 MIFYHUACUWQUKT-GPUHXXMPSA-N	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 vmhM:M_penn	secondary/obsolete/fantasy identifier