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penicillin N

PropertiesImage
MNX_IDMNXM2027 Image of MNXM2027
referencechebi:58408
formulaC14H20N3O6S
global charge-1
mol weight358.396
InChIKeyMIFYHUACUWQUKT-GPUHXXMPSA-M
InChIInChI=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
SMILESCC1(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 Image of MNXM2027
SMILES (mnx)[CH3:1][C:14]1([CH3:2])[C@H:9]([C:13](=[O:22])[OH:23])[N:17]2[C:10](=[O:19])[C@@H:8]([N:16]=[C:7]([CH2:5][CH2:3][CH2:4][C@H:6]([C:12](=[O:20])[OH:21])[NH2:15])[OH:18])[C@H:11]2[S:24]1
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
IdentifierDescription

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
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