hopantenic acid (Q4143336)

Hopantenic acid (English)

14 October 2016

chemical formula

C₁₀H₁₉NO₅

1 reference

Hopantenic acid (English)

14 October 2016

canonical SMILES

CC(C)(CO)C(C(=O)NCCCC(=O)O)O

1 reference

Hopantenic acid (English)

14 October 2016

isomeric SMILES

CC(C)(CO)[C@H](C(=O)NCCCC(=O)O)O

1 reference

Hopantenic acid (English)

InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Hopantenic acid (English)

14 October 2016

2 references

Hopantenic acid (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

18679-90-8

2 references

Global Substance Registration System

UNII

H473MVB16U

hopantenic acid (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=18679-90-8

9 April 2021

1 reference

4-(2,4-Dihydroxy-3,3-dimethylbutyramido)butyric Acid (English)

14 October 2016

1 reference

Hopantenic acid (English)

14 October 2016

ChEBI ID

134949

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1

1 reference

HOPANTENIC ACID (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID7028306

0 references

DrugBank ID

DB14044

1 reference

UNII

H473MVB16U

2 references

Global Substance Registration System

UNII

H473MVB16U

hopantenic acid (English)

14 October 2016