3-hydroxysuberic acid (Q27139076)

3-HYDROXYSUBERIC ACID (English)

7 October 2016

chemical formula

C₈H₁₄O₅

1 reference

3-HYDROXYSUBERIC ACID (English)

7 October 2016

canonical SMILES

C(CCC(=O)O)CC(CC(=O)O)O

1 reference

3-HYDROXYSUBERIC ACID (English)

InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)

7 October 2016

Identifiers

InChI

1 reference

3-HYDROXYSUBERIC ACID (English)

7 October 2016

2 references

3-HYDROXYSUBERIC ACID (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

3-hydroxysuberic acid (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=73141-47-6

9 April 2021

1 reference

3-Hydroxyoctanedioic acid (English)

7 October 2016

2 references

3-HYDROXYSUBERIC ACID (English)

7 October 2016

Reaxys registry number

10665502

1 reference

3-hydroxysuberic acid (English)

7 October 2016

ChEBI ID

70766

mapping relation type

2 references

3-hydroxysuberic acid (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)

SureChEMBL ID

SCHEMBL4726364

2 references

based on heuristic

inferred from InChIKey

1 reference

MassBank accession ID

MSBNK-RIKEN-PR309131

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

stated in

4 September 2022

splash10-053r-9300000000-4f9255a9b03fdc58054e

0 references

splash10-052r-0900000000-c8110c0a94d4b56b34cb

0 references

DSSTox substance ID

DTXSID20624863

2 references

stated in

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

DSSTOX compound identifier

DTXCID90575616

0 references

Human Metabolome Database ID

HMDB0000325

2 references

based on heuristic

inferred from InChIKey