N-(6-aminohexanoyl)-6-aminohexanoic acid (Q27121569)

6-(6-aminohexanamido)hexanoic acid (English)

N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion

6 October 2016

tautomer of

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₁₂H₂₄N₂O₃

1 reference

6-(6-aminohexanamido)hexanoic acid (English)

6 October 2016

canonical SMILES

C(CCC(=O)NCCCCCC(=O)O)CCN

1 reference

6-(6-aminohexanamido)hexanoic acid (English)

InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

6 October 2016

Identifiers

InChI

1 reference

6-(6-aminohexanamido)hexanoic acid (English)

IWENLYKHSZCPRD-UHFFFAOYSA-N

6 October 2016

InChIKey

1 reference

6-(6-aminohexanamido)hexanoic acid (English)

6 October 2016

0 references

1 reference

6-[(6-Aminohexanoyl)amino]hexanoic acid (English)

6 October 2016

1 reference

6-(6-aminohexanamido)hexanoic acid (English)

6 October 2016

Reaxys registry number

1789861

1 reference

N-(6-aminohexanoyl)-6-aminohexanoic acid (English)

6 October 2016

ChEBI ID

49255

mapping relation type

3 references

N-(6-aminohexanoyl)-6-aminohexanoic acid (English)

6 October 2016

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

58798

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

SureChEMBL ID

SCHEMBL9130266

2 references

based on heuristic

inferred from InChIKey

IWENLYKHSZCPRD-UHFFFAOYSA-N

InChIKey

DSSTox substance ID

DTXSID00274289

2 references

stated in

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

IWENLYKHSZCPRD-UHFFFAOYSA-N

InChIKey

DSSTOX compound identifier

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

N-(6-aminohexanoyl)-6-aminohexanoic acid (English)

6 October 2016

1 reference