EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:51699 - apalcillin(1−)

ChEBI IDCHEBI:51699
ChEBI Nameapalcillin(1−)
Stars
ASCII Nameapalcillin(1-)
Last Modified29 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC25H22N5O6S
Net Charge-1
Average Mass520.547
Monoisotopic Mass520.12963
SMILES[H][C@](NC(=O)c1cnc2cccnc2c1O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@]12[H])c1ccccc1
InChIInChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/p-1/t15-,17-,19+,23-/m1/s1
InChIKeyXMQVYNAURODYCQ-SLFBBCNNSA-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)
apalcillin(1−) (CHEBI:51699) is a penicillinate anion (CHEBI:51356)
apalcillin(1−) (CHEBI:51699) is conjugate base of apalcillin (CHEBI:51691)
Incoming Relation(s)
apalcillin potassium (CHEBI:51700) has part apalcillin(1−) (CHEBI:51699)
apalcillin sodium (CHEBI:51697) has part apalcillin(1−) (CHEBI:51699)
apalcillin (CHEBI:51691) is conjugate acid of apalcillin(1−) (CHEBI:51699)
IUPAC Name 
6β-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-6-{[(2R)-2-{[(4-hydroxy-1,5-naphthyridin-3-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC