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CHEBI:44625 - DEACETOXYCEPHALOSPORIN-C

Default Structure
ChEBI IDCHEBI:44625
ChEBI NameDEACETOXYCEPHALOSPORIN-C
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H19N3O6S
Net Charge0
Average Mass357.388
Monoisotopic Mass357.09946
SMILES[H]OC(=O)C1=C(C([H])([H])[H])C([H])([H])S[C@@]2([H])N1C(=O)[C@@]2([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])[H]
InChIInChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
InChIKeyNNQIJOYQWYKBOW-JWKOBGCHSA-N
ChEBI Ontology
Outgoing Relation(s)
DEACETOXYCEPHALOSPORIN-C (CHEBI:44625) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidPDBeChem
DEACETOXYCEPHALOSPORIN-CPDBeChem
Manual XrefsDatabases
P1CPDBeChem