vulgaxanthin-II (Q27108557)

(2S,4E)-4-[(2Z)-2-{[(1S)-1,3-Dicarboxypropyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

5 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₆N₂O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(CC(=O)O)C(C(=O)O)(N=C(C(=C1C=C(C(=O)O)NC(C1)(C(=O)O)[H])[H])[H])[H]

1 reference

Vulgaxanthin-II (English)

5 October 2016

isomeric SMILES

C(CC(=O)O)[C@@](C(=O)O)(/N=C(\C(=C/1\C=C(C(=O)O)N[C@@](C1)(C(=O)O)[H])\[H])/[H])[H]

1 reference

Vulgaxanthin-II (English)

InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

Vulgaxanthin-II (English)

POYIZOSTYKKRNT-OILNYAPZSA-N

5 October 2016

InChIKey

2 references

Vulgaxanthin-II (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Vulgaxanthin-II (English)

5 October 2016

1 reference

(2S,4E)-4-[(2Z)-2-{[(1S)-1,3-Dicarboxypropyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

5 October 2016

ChEBI ID

10026

mapping relation type

2 references

Vulgaxanthin-II (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1

SPLASH

splash10-0008-0099000000-f3e14df6571aea229994

0 references

1 reference

Vulgaxanthin-II (English)

5 October 2016

1 reference

Vulgaxanthin-II (English)