3-Methylsuberic acid (Q27162031)

3-Methylsuberic acid (English)

9 October 2016

chemical formula

C₉H₁₆O₄

1 reference

3-Methylsuberic acid (English)

9 October 2016

canonical SMILES

CC(CCCCC(=O)O)CC(=O)O

1 reference

3-Methylsuberic acid (English)

InChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)

9 October 2016

Identifiers

InChI

1 reference

3-Methylsuberic acid (English)

9 October 2016

2 references

3-Methylsuberic acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

3-Methyloctanedioic acid (English)

9 October 2016

2 references

3-Methylsuberic acid (English)

9 October 2016

ChEBI ID

89847

mapping relation type

2 references

3-Methylsuberic acid (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)

1 reference

2 references

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

DSSTOX compound identifier

DTXCID60443631

0 references

Human Metabolome Database ID

HMDB0059783

2 references

based on heuristic

inferred from InChIKey

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

1 reference