deacetylcephalosporin C(1-) (Q27125729)

Gene Ontology release 2020-05-02

Rhea release 113

deacetoxycephalosporin-C hydroxylase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

cephalosporin-C deacetylase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

mass

372.087 dalton

1 reference

deacetylcephalosporin C anion (English)

6 October 2016

chemical formula

C₁₄H₁₈N₃O₇S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)[O-])[NH3+])C(=O)[O-])CO

1 reference

deacetylcephalosporin C anion (English)

6 October 2016

isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])CO

1 reference

deacetylcephalosporin C anion (English)

InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/p-1/t7-,9-,12-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

deacetylcephalosporin C anion (English)

XWCFYHBHOFBVIV-JWKOBGCHSA-M

6 October 2016

InChIKey

2 references

deacetylcephalosporin C anion (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

(6R,7R)-7-{[(5R)-5-Ammonio-5-carboxylatopentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (English)

6 October 2016

1 reference

deacetylcephalosporin C anion (English)

6 October 2016

ChEBI ID

58366

mapping relation type

1 reference