E-레티노일브-글루쿠로니드

Retinoyl beta-glucuronide

HCID 5281877CAS 401-10-5

기본 정보

표준 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
분자식: C26H36O8
평균 분자량: 476.6 g/mol
단동위원소 질량: 476.24101811

개요

1-O-all-trans-retinoyl-beta-glucuronic acid is a retinoid that is retinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue.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.

이름 및 식별자

우선 이름: 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
현지명: E-레티노일브-글루쿠로니드
영어명: E-Retinoylb-glucuronide
분자식: C26H36O8
분자량: 476.562

이름 및 동의어

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

이름 더 보기

E-레티노일브-글루쿠로니드Retinoyl-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 134 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 34
형식 전하: 0
복잡도: 921

실험 및 물리화학적 성질

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

Physical DescriptionSolid

물리화학적 성질

저장 조건: -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
용해도: DMSO(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 연노랑
안정성: 빛에 민감하고 온도에 민감하며 용액이 불안정함

화학적 성질

Yellow Solid

안전 및 규제

안전 데이터

HS 번호: 29389090

화학 및 산업

약리 정보

Metabolism/MetabolitesAll-trans-retinoyl glucuronide is a known human metabolite of Tretinoin.

Tissue LocationsAdipose Tissue

Cellular LocationsCytoplasm

Metabolite PathwaysRetinol Metabolism

공급사12 곳

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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