(Q27125961)

CHEBI:58685 (English)

6 October 2016

chemical formula

C₁₂H₁₇N₂O₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C[NH+](C1C(=O)[O-])CCC(C(=O)[O-])[NH2+]CCC(=O)C(=O)[O-]

1 reference

CHEBI:58685 (English)

6 October 2016

isomeric SMILES

C1C[NH+]([C@@H]1C(=O)[O-])CC[C@@H](C(=O)[O-])[NH2+]CCC(=O)C(=O)[O-]

1 reference

CHEBI:58685 (English)

InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7-,8-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58685 (English)

PSBHIGYNXQIUQY-YUMQZZPRSA-M

6 October 2016

InChIKey

2 references

CHEBI:58685 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-1-{(3S)-3-Carboxylato-3-[(3-carboxylato-3-oxopropyl)ammonio]propyl}-2-azetidiniumcarboxylate (English)

6 October 2016

1 reference

CHEBI:58685 (English)

6 October 2016

ChEBI ID

58685

mapping relation type

1 reference