(Q27125759)

Gene Ontology release 2020-05-02

Rhea release 113

isopenicillin-N epimerase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

isopenicillin-N N-acyltransferase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

mass

358.107±0 dalton

1 reference

isopenicillin N anion (English)

6 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₀N₃O₆S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)[O-])[NH3+])C(=O)[O-])C

1 reference

isopenicillin N anion (English)

6 October 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])C

1 reference

isopenicillin N anion (English)

InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/p-1/t6-,8+,9-,11+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

isopenicillin N anion (English)

MIFYHUACUWQUKT-GTQWGBSQSA-M

6 October 2016

InChIKey

2 references

isopenicillin N anion (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

(2S,5R,6R)-6-{[(5S)-5-Ammonio-5-carboxylatopentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (English)

6 October 2016

1 reference

isopenicillin N anion (English)

6 October 2016

ChEBI ID

58399

mapping relation type

1 reference