glycochenodeoxycholic acid (Q5572600)

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

stereoisomer of

ursodeoxycholylglycine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₃NO₅

1 reference

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

canonical SMILES

CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

1 reference

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

isomeric SMILES

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

2 references

A community-driven global reconstruction of human metabolism.

physically interacts with

ATP binding cassette subfamily B member 11

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4545

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

17 August 2016

Identifiers

InChI

1 reference

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

2 references

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

ChEBI release 2020-09-01

2 references

glycochenodeoxycholic acid (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=640-79-9

10 April 2021

1 reference

Glycochenodeoxycholic acid (English)

19 October 2016

1 reference

GLYCOCHENODEOXYCHOLIC ACID (English)

19 October 2016

Reaxys registry number

3226177

1 reference

glycochenodeoxycholic acid (English)

19 October 2016

ChEBI ID

36274

mapping relation type

2 references

glycochenodeoxycholic acid (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

1 reference

GLYCOCHENODEOXYCHOLATE (English)

19 October 2016

2 references

inferred from InChIKey

MSBNK-BGC_Munich-RP005201

1 reference

MassBank accession ID

0 references

MSBNK-BGC_Munich-RP005202

0 references

MSBNK-BGC_Munich-RP005203

0 references

MSBNK-Metabolon-MT000063

0 references

MSBNK-Nihon_Univ-NU000746

0 references

MSBNK-Nihon_Univ-NU000747

0 references

MSBNK-Nihon_Univ-NU000749

0 references

MSBNK-Nihon_Univ-NU000750

0 references

SPLASH

splash10-03di-0342900000-51b202ab1fb3599484fa

0 references

Guide to Pharmacology Ligand ID

4545

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4545

D04.210.500.105.225.272.150.350

glycochenodeoxycholic acid (English)

19 October 2016

Glycochenodeoxycholic Acid

0 references

MeSH tree code

0 references

D04.210.500.105.225.272.411.360

0 references

D04.210.500.105.225.400.380.360

0 references

D04.210.500.221.430.342.300.400

0 references

D04.210.500.221.430.342.400.450

0 references

D04.210.500.221.430.484.430.420

0 references

D12.125.481.700.249.420.400

0 references

1 reference

Glycochenodeoxycholic Acid (English)

Human Metabolome Database ID

19 October 2016

HMDB0000637

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

0 references

2 references

UNII

451ZNJ667Y

glycochenodeoxycholic acid (English)

19 October 2016

imported from Wikimedia project

0 references

1 reference

Serbo-Croatian Wikipedia

1 reference

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

30 June 2018

0 references

0 references

Microsoft Academic ID

0 references

1 reference

1FMC (English)

19 October 2016

1 reference

2LFO (English)

19 October 2016

1 reference

2B04 (English)

19 October 2016

1 reference

2LBA (English)

19 October 2016

1 reference

2MM3 (English)

19 October 2016

1 reference

1AHI (English)