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CHEBI:51355 - phenoxymethylpenicillin(1−)

ChEBI IDCHEBI:51355
ChEBI Namephenoxymethylpenicillin(1−)
Stars
ASCII Namephenoxymethylpenicillin(1-)
Last Modified20 August 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H17N2O5S
Net Charge-1
Average Mass349.388
Monoisotopic Mass349.08637
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)COc1ccccc1
InChIInChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
InChIKeyBPLBGHOLXOTWMN-MBNYWOFBSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
phenoxymethylpenicillin(1−) (CHEBI:51355) is a penicillinate anion (CHEBI:51356)
phenoxymethylpenicillin(1−) (CHEBI:51355) is conjugate base of phenoxymethylpenicillin (CHEBI:27446)
Incoming Relation(s)
penimepicycline (CHEBI:75258) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
phenoxymethylpenicillin benzathine (CHEBI:31973) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
phenoxymethylpenicillin hydrabamine (CHEBI:52173) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
phenoxymethylpenicillin potassium (CHEBI:7967) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
phenoxymethylpenicillin (CHEBI:27446) is conjugate acid of phenoxymethylpenicillin(1−) (CHEBI:51355)
IUPAC Name 
2,2-dimethyl-6β-[(phenoxyacetyl)amino]penam-3α-carboxylate
Registry NumbersSources
Beilstein:3916461Beilstein