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CHEBI:52438 - temocillin(2−)

ChEBI IDCHEBI:52438
ChEBI Nametemocillin(2−)
Stars
ASCII Nametemocillin(2-)
Last Modified15 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H16N2O7S2
Net Charge-2
Average Mass412.445
Monoisotopic Mass412.04099
SMILES[H]C(C(=O)[O-])(C(=O)N[C@]1(OC)C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@@]21[H])c1ccsc1
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)/p-2/t8?,9-,14+,16-/m0/s1
InChIKeyBVCKFLJARNKCSS-DWPRYXJFSA-L
ChEBI Ontology
Outgoing Relation(s)
temocillin(2−) (CHEBI:52438) is a dicarboxylic acid dianion (CHEBI:28965)
temocillin(2−) (CHEBI:52438) is conjugate base of temocillin (CHEBI:51817)
Incoming Relation(s)
temocillin disodium (CHEBI:52434) has part temocillin(2−) (CHEBI:52438)
temocillin (CHEBI:51817) is conjugate acid of temocillin(2−) (CHEBI:52438)