Chemical Component Summary

Name7-aminocephalosporanic acid
Synonyms(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Identifiers(6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
FormulaC10 H12 N2 O5 S
Molecular Weight272.278
TypeNON-POLYMER
Isomeric SMILESCC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChIInChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
InChIKeyHSHGZXNAXBPPDL-HZGVNTEJSA-N

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count2
Bond Count31
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 7058093, 441328
ChEMBL CHEMBL1615585
ChEBI CHEBI:58501, CHEBI:2255