E-Retinoylb-glucuronide

CAS：401-10-5
MW:476.55924
MF：C26H36O8

A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids. E-Retinoylb-glucuronideSupplier View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: E-Retinoylb-glucuronide

1.2 Synonyms: (2S,3S,4S,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; all-trans-Retinoyl glucuronide; all-trans-Retinoyl β-D-glucuronide; E-Retinoylb-glucuronide; Glucopyranosiduronic acid, 1-retinoate, β-D-; Retinoic acid, 1-ester with glucopyranuronic acid; Retinoic acid, 1-ester with β-D-glucopyranosiduronic acid; Retinoic acid, β-D-glucopyranuronic acid deriv.; Retinoic acid, β-D-glucuronosyl ester; Retinoyl beta-glucuronide; retinoyl glucuronide; Retinoyl β-glucuronide; β-D-Glucopyranuronic acid, 1-retinoate;

View all

1.3 CAS No.: 401-10-5

1.4 CID: 5281877

1.5 Molecular Formula: C26H36O8

1.6 Inchi: InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1

1.7 InChkey: MTGFYEHKPMOVNE-NEFMKCFNSA-N

1.8 Canonical Smiles: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C

1.9 Isomers Smiles: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C

2. Properties

2.1 Appearance: Solid

2.2 Chemical Properties: Yellow Solid

2.3 StorageTemp: Amber Vial, -20°C Freezer, Under Inert Atmosphere

3. Use and Manufacturing

3.1 Description

Yellow Solid

Solid

1-O-all-trans-retinoyl-beta-glucuronic acid is a retinoid that is retinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue. It has a role as a human metabolite. It is a member of glucuronic acids and a retinoid. It derives from an all-trans-retinoic acid. It is a conjugate acid of a 1-O-(all-trans-retinoyl)-beta-D-glucuronate.

View all

3.2 Usage: A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids. E-Retinoylb-glucuronideSupplier

View all

4. Safety and Handling

4.1 Specification: Yellow Solid
usageEng:A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Computed Properties

Molecular Weight：476.55924g/mol
Molecular Formula：C₂₆H₃₆O₈
Compound Is Canonicalized：True
Exact Mass：4.4
XLogP3-AA：476.24101810
Monoisotopic Mass：476.24101810
Complexity：921
Rotatable Bond Count：8
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：8
Topological Polar Surface Area：134
Heavy Atom Count：：34
Defined Atom Stereocenter Count：5
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：4
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAAkQAAAAAAAAAAAAAAAGgAACAAADhSwgAMCCAAABgCIAiDSCAIAAAAgAAAICAFAAEgZFBYAIQQiUAAFoAAPoQPK7MxPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8.Other Information

Chemical Properties: Yellow Solid

Uses: A biliary metabolite of Vitamin A, occurs endogenously in human blood. RAG is biologically active in promoting the growth of vitamin A-deficient rats and the the induction of differentiation of HL-60 and BA-HAN-1C cells, but less cytotoxic than Retinoic Acids.

Metabolism: All-trans-retinoyl glucuronide is a known human metabolite of Tretinoin.

Mesh Entry Terms: 13-cis-retinoyl glucuronide

9. Toltal 2 Suppliers View more

Carbosynth Limited

Tel: Update Time:2019/11/25

inquire

85% By HPLC"" width="90" height="90">

Clearsynth

Tel: Update Time:2022/01/01

inquire

10. Realated Product Infomation