(Q27147210)

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

8 October 2016

chemical formula

C₇H₆NO₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(=CC(=C(C(=O)[O-])[NH3+])C(=O)[O-])C=O

1 reference

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

8 October 2016

isomeric SMILES

C(=C\C(=C(/C(=O)[O-])\[NH3+])\C(=O)[O-])\C=O

1 reference

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1-,5-4-

8 October 2016

Identifiers

InChI

1 reference

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

KACPVQQHDVBVFC-OIFXTYEKSA-M

8 October 2016

InChIKey

2 references

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2Z)-2-Ammonio-3-[(1Z)-3-oxo-1-propen-1-yl]-2-butenedioate (English)

8 October 2016

1 reference

cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate (English)

8 October 2016

ChEBI ID

77612

mapping relation type

1 reference

cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) (English)