5-deoxy-5-aminoshikimic acid (Q4746471)

Aminoshikimic acid (English)

5 October 2016

chemical formula

C₇H₁₁NO₄

1 reference

Aminoshikimic acid (English)

5 October 2016

canonical SMILES

C1C(C(C(C=C1C(=O)O)O)O)N

1 reference

Aminoshikimic acid (English)

5 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)N

1 reference

Aminoshikimic acid (English)

InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4-6,9-10H,1,8H2,(H,11,12)/t4-,5-,6+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Aminoshikimic acid (English)

5 October 2016

2 references

Aminoshikimic acid (English)

imported from Wikimedia project

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

178948-66-8

2 references

English Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=178948-66-8

9 April 2021

1 reference

(3R,4S,5R)-5-Amino-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid (English)

5 October 2016

2 references

Aminoshikimic acid (English)

5 October 2016

138319328

1 reference

ChEBI ID

29490

mapping relation type

2 references

5-Deoxy-5-aminoshikimic acid (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4-6,9-10H,1,8H2,(H,11,12)/t4-,5-,6+/m1/s1

194198

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4-6,9-10H,1,8H2,(H,11,12)/t4-,5-,6+/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID20283217

0 references

UNII

74Z3GVA58B

1 reference

1 reference

5-Deoxy-5-aminoshikimic acid (English)