CHEBI:52438 - temocillin(2−)

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ChEBI Name temocillin(2−)
ChEBI ID CHEBI:52438
ChEBI ASCII Name temocillin(2-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H16N2O7S2
Net Charge -2
Average Mass 412.43700
Monoisotopic Mass 412.04099
InChI InChI=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)/p-2/t8?,9-,14+,16-/m0/s1
InChIKey BVCKFLJARNKCSS-DWPRYXJFSA-L
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C([H])(C([O-])=O)c1ccsc1)OC)C([O-])=O
ChEBI Ontology
Outgoing temocillin(2−) (CHEBI:52438) is a dicarboxylic acid dianion (CHEBI:28965)
temocillin(2−) (CHEBI:52438) is conjugate base of temocillin (CHEBI:51817)
Incoming temocillin disodium (CHEBI:52434) has part temocillin(2−) (CHEBI:52438)
temocillin (CHEBI:51817) is conjugate acid of temocillin(2−) (CHEBI:52438)
Last Modified
15 May 2009