CHEBI:2964 - BO 2727

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name BO 2727
ChEBI ID CHEBI:2964
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C18H29N3O5S.HCl.H2O
C18H32ClN3O6S
Net Charge 0
Average Mass 453.983
Monoisotopic Mass 453.17003
InChI InChI=1S/C18H29N3O5S.ClH.H2O/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3;;/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26);1H;1H2/t8-,9-,10+,11?,12-,13-,14-;;/m1../s1
InChIKey FNSICOGCVDQJPU-XQVNCDRMSA-N
SMILES [C@@H]1(SC2=C(N3C([C@]([C@]3([C@H]2C)[H])([H])[C@@H](C)O)=O)C(O)=O)CNC(C1)[C@H](O)CCNC.Cl.O
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via carbapenems )
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 BO 2727 (CHEBI:2964) is a carbapenems (CHEBI:46633)
Synonym Source
BO 2727 KEGG COMPOUND
Manual Xref Database
D01058 KEGG DRUG
View more database links
Registry Number Type Source
149882-71-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017