Retinoyl beta-glucuronide

HCID 5281877CAS 401-10-5
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Grundinformationen

Standard-SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1
InChIKey
MTGFYEHKPMOVNE-NEFMKCFNSA-N
Summenformel
C26H36O8
Durchschnittliche Molmasse
476,6 g/mol
Monoisotopische Masse
476,24101811

Überblick

1-O-all-trans-retinoyl-beta-glucuronic acid is a retinoid that is retinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue.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

Namen und Bezeichner

Bevorzugter Name
Retinoyl beta-glucuronide
IUPAC
(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
Englischer Name
E-Retinoylb-glucuronide
Summenformel
C26H36O8
Molmasse
476.562

Namen und Synonyme

Retinoyl beta-glucuronide401-10-5Retinoyl glucuronideXB6RQ16Y55beta-D-Glucopyranuronic acid, 1-retinoate(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 acidDTXSID40274187(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 acidRefChem:930683DTXCID70819949Glucuronideall-trans-Retinoyl-beta-glucuronide
Weitere Namen anzeigen
Retinoyl-β-D-glucuronide(E-Retinoyl)-β-glucuronideE-Retinoyl β-glucuronide ,85%Retinoyl β-D-glucuronopyranosideRetinoyl-β-D-glucuronopyranoside
Retinoyl b-glucuronide13-cis-Retinoyl glucuronideRetinoyl-beta-glucuronideRetinoic acid beta-D-glucuronideall-trans-Retinoyl-beta-D-glucuronide1-O-all-trans-retinoyl-beta-glucuronic acidE-RETINOYLB-GLUCURONIDETretinoin Glucuronide

Datenbank-Bezeichner

CAS
401-10-5
PubChem CID
5281877
DTXSID
DTXSID40274187
ChEBI
CHEBI:28870
UNII
XB6RQ16Y55
Nikkaji
J431.685A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
134 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
8
Schwere Atome
34

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> Retinoids [PR0109]
Physical DescriptionSolid

Physikochemische Eigenschaften

storage temp.
-20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
Löslichkeit
DMSO (Slightly), Water (Slightly)
Aggregatzustand
Solid
Farbe
Light Yellow
Stabilität
Light Sensitive, Temperature Sensitive, Unstable in Solution

Sicherheit und Regulatorisches

Sicherheitsdaten

hs_code
29389090

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesAll-trans-retinoyl glucuronide is a known human metabolite of Tretinoin.
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Metabolite PathwaysRetinol Metabolism

Anbieter12 Anbieter

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]

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