Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

temocillin

PropertiesImageOccurences in reactions
MNX_IDMNXM730129Image of MNXM730129
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC16H18N2O7S2
charge0
mass414.05554
referencechebi:51817
InChIKeyBVCKFLJARNKCSS-DWPRYXJFSA-N
InChIInChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
SMILESCO[C@@]1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:51817
chebi:51817 		temocillin
(2S,5R,6S)-6-[2-carboxy(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6S)-6-{[carboxy(3-thienyl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6S)-6-{[carboxy(thiophen-3-yl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6beta-[carboxy(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid
N-((2S,5R,6S)-2-carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid
temocillina
temocilline
temocillinum
sabiork.compound:25078
sabiorkM:25078 		Temocillin
kegg.drug:D06064
keggD:D06064 		Temocillin (USAN)
CHEBI:52438
chebi:52438 		temocillin(2-)
keggD:M_D06064 secondary/obsolete/fantasy identifier