기본 정보
- CAS
604-33-1- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
NAACPBBQTFFYQB-LJAITQKLSA-N- 분자식
- C45H76O2
- 평균 분자량
- 649.1 g/mol
- 단동위원소 질량
- 648.58453166
개요
Cholesteryl linoleate is the (9Z,12Z)-stereoisomer of cholesteryl octadeca-9,12-dienoate. It has a role as a mouse metabolite and a human metabolite. It is a CE(18:2) and a cholesteryl octadeca-9,12-dienoate. It is functionally related to a linoleic acid.
이름 및 식별자
- 우선 이름
- Cholesteryl Linoleate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
- 현지명
- 콜레스테롤리놀레이트
- 영어명
- Cholesteryl linoleate
- 분자식
- C45H76O2
- 분자량
- 649.09
이름 및 동의어
Cholesteryl linoleateCholesterol Linoleate604-33-1Cholesterol, linoleate18:2 Cholesteryl esterCE(18:2)CE(18:2(9Z,12Z))Cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate75427237HI(Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoateCHEBI:41509cholest-5-en-3beta-yl (9Z,12Z-octadecadienoate)
이름 더 보기
콜레스테롤리놀레이트SKL147Cholesteryl linoleic acidCholesterol Linoleate >linoleicacid,cholesterylesterCholesteryl octadecadienoate5-Cholesten-3β-ol 3-linoleateLINOLEIC ACID CHOLESTEROL ESTER
(3beta)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate(3beta)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoateNSC-18183[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) (9Z,12Z)-octadeca-9,12-dienoateRefChem:125710cholesteryl trans-9-trans-12-octadecadienoate(17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) (9Z,12E)-octadeca-9,12-dienoate
물성
구조 계산 물성
- XLogP
- 15.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,020
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]
Collision Cross Section
290.8 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
283.54 Ų [M+NH4]+ [CCS Type: TIMS; Method: single field calibrated]
290.6 Ų [M+NH4]+ [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
물리화학적 성질
- 녹는점
- 41 · 41-42.5 °C
- 끓는 점
- 677.3 · 677.3±44.0 °C(Predicted)
- 밀도
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- 굴절률
- 20 · 〔α〕D20 -24° 14)
- 인화점
- 113 °C · 113 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 10 mg/ml · Chloroform: 10 mg/ml
- 물리적 상태
- A waxy crystal
- 색상
- White to off-white
- 생물학적 소스
- synthetic (organic)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationCholest-5-en-3-ol (3.beta.)-, (9Z,12Z)-9,12-octadecadienoate: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-[(9Z,12Z)-9,12-octadecadienoate]: INACTIVE
응용 분야
용도Cholesteryl linoleate was cosonicated with cholesterol to prepare dispersions were prepared to study the cholesterol to phospholipid ratio in red blood cell membrane. It was used as HPLC standard in the analysis of rat liver lipoproteins.
공급사57 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
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