ecgonine methyl ester (Q27095434)

participant

1 reference

Gene Ontology release 2019-11-16

ecgonine methyl ester catabolic process

reactant

1 reference

Gene Ontology release 2019-11-16

ecgonine methyl ester biosynthetic process

product

1 reference

Gene Ontology release 2019-11-16

chemical structure

Methyl ecgonine.svg
347 × 258; 9 KB

0 references

mass

199.121±0 dalton

1 reference

Methyl ecgonine (English)

19 October 2016

chemical formula

C₁₀H₁₇NO₃

1 reference

Methyl ecgonine (English)

19 November 2016

canonical SMILES

CN1C2CCC1C(C(C2)O)C(=O)OC

1 reference

Methyl ecgonine (English)

19 November 2016

isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC

1 reference

Analysis of alkaloids in leaves of cultivated Erythroxylum and characterization of alkaline substances used during coca chewing

Methyl ecgonine (English)

19 November 2016

5 references

Alkaloid content in Erythroxylum coca tissue during reproductive development

Identification and quantitation of alkaloids in coca tea

Alkaloid Content in TwoErythroxylumTaxa During Juvenile Growth and Development

Lesser Alkaloids of Cocaine-Bearing Plants. Part I: Nicotinoyl-, 2′-Pyrroloyl, and 2′- and 3′-Furanoylecgonine Methyl Ester—Isolation and Mass Spectral Characterization of Four New Alkaloids of South AmericanErythroxylum cocaVar.coca

Erythroxylum novogranatense

1 reference

Alkaloid Content in TwoErythroxylumTaxa During Juvenile Growth and Development

Homo sapiens

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

psychoactive drug

1 reference

Medical Subject Headings

MeSH descriptor ID

C034524

InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1

15 March 2018

Identifiers

InChI

1 reference

Methyl ecgonine (English)

QIQNNBXHAYSQRY-UYXSQOIJSA-N

19 November 2016

InChIKey

2 references

Methyl ecgonine (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

7143-09-1

2 references

Global Substance Registration System

UNII

Y35FJB3QBJ

ecgonine methyl ester (English)

QIQNNBXHAYSQRY-UYXSQOIJSA-N

19 November 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=7143-09-1

1 reference

(-)-Ecgonine methyl ester (English)

19 October 2016

1 reference

Methyl ecgonine (English)

19 November 2016

Reaxys registry number

83529

1 reference

ecgonine methyl ester (English)

19 October 2016

ChEBI ID

31529

mapping relation type

2 references

CHEMBL1232472 (English)

matched by identifier from

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1

1 reference

matched by identifier from

CHEMBL1232472 (English)

19 November 2016

2 references

inferred from InChIKey

InChIKey

QIQNNBXHAYSQRY-UYXSQOIJSA-N

1 reference

MassBank accession ID

MSBNK-Waters-WA000510

0 references

MSBNK-Waters-WA000511

0 references

MSBNK-Waters-WA000512

0 references

MSBNK-Waters-WA000513

0 references

MSBNK-Waters-WA000514

0 references

MSBNK-Waters-WA000515

0 references

DSSTox substance ID

DTXSID00891435

0 references

DSSTOX compound identifier

0 references

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

ECGONINE METHYL ESTER (English)

Human Metabolome Database ID

19 November 2016

0 references

1 reference

Global Substance Registration System

UNII

Y35FJB3QBJ

ecgonine methyl ester (English)

19 November 2016

0 references

1 reference

Immune Epitope Database and Analysis Resource

ecgonine methyl ester (English)

19 October 2016

1 reference

1 March 2022

0 references

1 reference

2AJY (English)

19 October 2016

1 reference

2AJZ (English)