Dopaxanthin quinone (Q27155256)

(2S,4E)-4-[(2Z)-2-{[(1S)-1-Carboxy-2-(3,4-dioxo-1,5-cyclohexadien-1-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

retrieved

9 October 2016

chemical formula

C₁₈H₁₆N₂O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(C(C=C1CC(C(=O)O)(N=C(C(=C2C=C(C(=O)O)NC(C2)(C(=O)O)[H])[H])[H])[H])=O)=O

1 reference

language of work or name

English

title

Dopaxanthin quinone (English)

retrieved

9 October 2016

isomeric SMILES

C1=CC(C(C=C1C[C@@](C(=O)O)(/N=C(\C(=C/2\C=C(C(=O)O)N[C@@](C2)(C(=O)O)[H])\[H])/[H])[H])=O)=O

1 reference

language of work or name

English

title

Dopaxanthin quinone (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1

1 reference

language of work or name

English

title

Dopaxanthin quinone (English)

retrieved

9 October 2016

InChIKey

DVOFEZJSDVPRON-AFUNOPLTSA-N

2 references

language of work or name

English

title

Dopaxanthin quinone (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(2S,4E)-4-[(2Z)-2-{[(1S)-1-Carboxy-2-(3,4-dioxo-1,5-cyclohexadien-1-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

retrieved

9 October 2016

ChEBI ID

81318

mapping relation type

2 references

language of work or name