(Q27098379)

(2E,4Z,6S)-6-Amino-2-hydroxy-4-(2-oxoethylidene)-2-heptenedioic acid (English)

4 October 2016

chemical formula

C₉H₁₁NO₆

0 references

canonical SMILES

C(C=O)(=C(CC(C(=O)O)(N)[H])C(=C(C(=O)O)O)[H])[H]

1 reference

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)

4 October 2016

isomeric SMILES

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

1 reference

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)

InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1

4 October 2016

Identifiers

InChI

1 reference

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)

FNEGJFDTWWXQES-QTWONPPNSA-N

4 October 2016

InChIKey

2 references

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)

4 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E,4Z,6S)-6-Amino-2-hydroxy-4-(2-oxoethylidene)-2-heptenedioic acid (English)

4 October 2016

ChEBI ID

16098

mapping relation type

3 references

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)

matched by identifier from

4 October 2016

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1

1 reference

4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (English)