기본 정보
- CAS
4725-24-0- 표준 SMILES
CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
RXMHNAKZMGJANZ-DTTSCKGMSA-N- 분자식
- C27H46O3
- 평균 분자량
- 418.7 g/mol
- 단동위원소 질량
- 418.34469533
개요
7alpha,26-dihydroxycholesterol is an oxysterol that is cholesterol which is substituted by hydroxy groups at the 7alpha and 26 positions. It has a role as a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a triol, a 7alpha-hydroxy steroid, a 26-hydroxy steroid and an oxysterol. It is functionally related to a cholesterol.
이름 및 식별자
- 우선 이름
- 7alpha,27-Dihydroxycholesterol
- IUPAC
- (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
- 영어명
- (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
- 분자식
- C27H46O3
- 분자량
- 418.65
이름 및 동의어
7alpha,27-dihydroxycholesterol4725-24-0Cholest-5-ene-3beta,7alpha,26-triolCholest-5-ene-3,7,27-triol5-Cholestene-3beta,7alpha,26-triolcholest-5-ene-3beta,7alpha,27-triolDTXSID701311542(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol(3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,7-diolRefChem:106601DTXCID601741374(3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R,6R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,7-diol
이름 더 보기
Cholesterol Impurity 347α,27-dihydroxycholesterol7-alpha,27-DihydroxycholesterolCholest-5-ene-3,7,26-triol, (3β,7α)-(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
7alpha,26-dihydroxycholesterol7|A,27-dihydroxycholesterolCHEMBL4788277Cholest-5-ene-3,7,26-triol, (3|A,7|A)-Cholest-5-ene-3,7,26-triol, (3beta,7alpha)-7-a,27-dihydroxycholesterolSCHEMBL24856107I+/-,27-Dihydroxycholesterol
데이터베이스 식별자
- CAS
4725-24-0- PubChem CID
- 440985
- DTXSID
DTXSID701311542- ChEMBL
CHEMBL4788277- ChEBI
CHEBI:18431- Nikkaji
- J575.886F
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 644
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403]
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 552.6 · 552.6±35.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 14.11 · 14.11±0.70(Predicted)
- 물리적 상태
- powder
- 색상
- White to off-white
- InChIKey
- RXMHNAKZMGJANZ-DTTSCKGMSA-N
- SMILES
- O[C@H]1[C@H]2[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(CO)C)C)(CC[C@@H]2[C@]4(CC[C@@H](CC4=C1)O)C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
Metabolite Pathways27-Hydroxylase Deficiency
응용 분야
용도7α,27-Dihydroxycholesterol is used in the study of immunochemistry. It is a potent and selective agonist of EB12.7α,27-Dihydroxycholesterol is also studied in biochemical methods as one of several oxysterols found in human plasma using HPLC-MS and incorporating charg-tagging and high-resolution mass spectrometry.
공급사9 곳
Aladdin Scientific[email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
추가 설명
정의ChEBI: An oxysterol that is cholesterol which is substituted by hydroxy groups at the 7alpha and 26 positions.
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