(Q27122758)

CHEBI:51791 (English)

6 October 2016

chemical formula

C₁₂H₁₄NO₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-])O

1 reference

CHEBI:51791 (English)

6 October 2016

isomeric SMILES

CC(C1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O

1 reference

CHEBI:51791 (English)

InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/p-1/t5?,6-,7?,11-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:51791 (English)

HGGAKXAHAYOLDJ-YZJVMBJSSA-M

6 October 2016

InChIKey

2 references

CHEBI:51791 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5R)-6-(1-Hydroxyethyl)-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (English)

6 October 2016

1 reference

CHEBI:51791 (English)

6 October 2016

ChEBI ID

51791

mapping relation type

1 reference