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penicilloic acid

MNXM12596 is deprecated and here replaced by MNXM727598
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727598 Image of MNXM727598
referencechebi:7968
formulaC9H13N2O5S*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@H](C(=O)O)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1
MNX internals
InChI (mnx)InChI=1/C10H16N2O5S/c1-4(13)11-5(8(14)15)7-12-6(9(16)17)10(2,3)18-7/h5-7,12H,1-3H3,(H,11,13)(H,14,15)(H,16,17)/t5-,6-,7+/m0/s1/i1+1 Image of MNXM727598
SMILES (mnx)[13CH3:1][C:4](=[N:11][C@@H:5]([C@@H:7]1[NH:12][C@@H:6]([C:9](=[O:16])[OH:17])[C:10]([CH3:2])([CH3:3])[S:18]1)[C:8](=[O:14])[OH:15])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:7968
chebi:7968 		penicilloic acid
penicilloic acids

CHEBI:62524
chebi:62524 		penicilloate(2-)