CHEBI:51691 - apalcillin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name apalcillin
ChEBI ID CHEBI:51691
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H23N5O6S
Net Charge 0
Average Mass 521.54622
Monoisotopic Mass 521.13690
InChI InChI=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)/t15-,17-,19+,23-/m1/s1
InChIKey XMQVYNAURODYCQ-SLFBBCNNSA-N
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)c1cnc2cccnc2c1O)c1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via penicillin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing apalcillin (CHEBI:51691) is a 1,5-naphthyridine derivative (CHEBI:73540)
apalcillin (CHEBI:51691) is a penicillin (CHEBI:17334)
apalcillin (CHEBI:51691) is conjugate acid of apalcillin(1−) (CHEBI:51699)
Incoming apalcillin(1−) (CHEBI:51699) is conjugate base of apalcillin (CHEBI:51691)
IUPAC Name
6β-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylic acid
INNs Sources
apalcillin ChEBI
apalcilline ChemIDplus
apalcillinum ChemIDplus
Synonyms Sources
(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-carboxylic acid IUPAC
apalcilina ChemIDplus
Manual Xref Database
227 DrugCentral
View more database links
Registry Numbers Types Sources
6030446 Beilstein Registry Number ChemIDplus
63469-19-2 CAS Registry Number ChemIDplus
6494943 Beilstein Registry Number Beilstein
Last Modified
22 February 2017