CHEBI:7678 - O-Carbamoyl-deacetylcephalosporin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-Carbamoyl-deacetylcephalosporin C
ChEBI ID CHEBI:7678
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H20N4O8S
Net Charge 0
Average Mass 416.408
Monoisotopic Mass 416.10018
InChI InChI=1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)/t7-,9-,12-/m1/s1
InChIKey LSRDVUINCBDNAZ-JWKOBGCHSA-N
SMILES N[C@H](CCCC(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing O-Carbamoyl-deacetylcephalosporin C (CHEBI:7678) is a peptide (CHEBI:16670)
Synonym Source
O-Carbamoyl-deacetylcephalosporin C KEGG COMPOUND
Manual Xref Database
C06568 KEGG COMPOUND
View more database links
Last Modified
28 July 2014