(Q27126994)

caproyl pyrraline (English)

6 October 2016

chemical formula

C₁₂H₁₇NO₄

1 reference

caproyl pyrraline (English)

6 October 2016

canonical SMILES

C1=C(N(C(=C1)C=O)CCCCCC(=O)O)CO

1 reference

caproyl pyrraline (English)

InChI=1S/C12H17NO4/c14-8-10-5-6-11(9-15)13(10)7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7,9H2,(H,16,17)

6 October 2016

Identifiers

InChI

1 reference

caproyl pyrraline (English)

FLGAHUVWKPWJPY-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

caproyl pyrraline (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]hexanoic acid (English)

6 October 2016

2 references

caproyl pyrraline (English)

matched by identifier from

6 October 2016

InChIKey

FLGAHUVWKPWJPY-UHFFFAOYSA-N

Reaxys registry number

8148551

1 reference

1-(5-carboxypentyl)pyrraline (English)

6 October 2016

ChEBI ID

59968

mapping relation type

2 references

1-(5-carboxypentyl)pyrraline (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H17NO4/c14-8-10-5-6-11(9-15)13(10)7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7,9H2,(H,16,17)

1 reference

2 references

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

matched by identifier from

InChIKey

FLGAHUVWKPWJPY-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

136025