기본 정보
- CAS
25518-49-4- 표준 SMILES
CC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C- InChIKey
LRCNOZRCYBNMEP-SECBINFHSA-N- 분자식
- C11H21NO4
- 평균 분자량
- 231.29 g/mol
- 단동위원소 질량
- 231.14705815
개요
O-isobutyryl-L-carnitine is an optically active form of O-isobutyrylcarnitine having (R)-configuration. It has a role as a human metabolite. It is a saturated fatty acyl-L-carnitine, a methyl-branched fatty acyl-L-carnitine, a short-chain fatty acyl-L-carnitine and an O-isobutyrylcarnitine.
이름 및 식별자
- 우선 이름
- Isobutyrylcarnitine
- IUPAC
- (3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
- 현지명
- (3R)-3-(2-메틸프로파노일옥시)-4-트리메틸아자늄일부타노에이트
- 영어명
- (3R)-3-(2-methylpropanoyloxy)-4-trimethylazaniumylbutanoate
- 분자식
- C11H21NO4
- 분자량
- 231.28874
이름 및 동의어
25518-49-4Isobutyryl-carnitineIsobutyryl-1-carnitineisobutyrylcarnitineIso-butyryl-L(-)-carnitinIsobutyryl-L-(-)-carnitineG962K8PXU5(S)-3-Carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxopropoxy)-1-propanaminium, hydroxide, inner saltAmmonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, isobutyrate, L-RefChem:149126Isobutyryl-L-carnitineO-isobutyryl-L-carnitine
이름 더 보기
(3R)-3-(2-메틸프로파노일옥시)-4-트리메틸아자늄일부타노에이트isbutyrylcarnitine.Isobutyryl-L-carnitine【91299】Isobutyryl-L-carnitine >=97.0% (TLC)
(3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoateIso-butyryl-L(-)-carnitin [German]BRN 4138517(3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate(R)-isobutyrylcarnitine(3R)-3-(2-METHYLPROPANOYLOXY)-4-TRIMETHYLAZANIUMYLBUTANOATEO-isobutanoyl-(R)-carnitine(R)-3-(Isobutyryloxy)-4-(trimethylammonio)butanoate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 250
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- 250 mg/mL · DMSO: 250 mg/mL (1080.89 mM); Water: 125 mg/mL (540.45 mM)
- 물리적 상태
- powder
- 색상
- white
- BRN
- 4138517 · 4138517
- InChI
- 1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
- InChIKey
- LRCNOZRCYBNMEP-SECBINFHSA-N
- SMILES
- C[N+](C)(C)C[C@H](OC(C(C)C)=O)CC([O-])=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- rtecs
- BP2993000
- 독성
- mouse,LD50,subcutaneous,9600mg/kg (9600mg/kg),Acta Biologica et Medica Germanica. Vol. 26, Pg. 1237, 1971.
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Isobutyryl-L-carnitine may be used as an analytical reference standard for the separation and identification of underivatized isobutyryl-L-carnitine in human plasma samples using high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS). It may also be used as an analytical reference standard for the quantification of the analyte in human urine samples using liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS).
일반 설명Isobutyryl-L-carnitine belongs to the acylcarnitines class of compounds. These compounds are produced from L-carnitine, which plays an important role in fatty acid metabolic pathways. The functions and roles of acyl-L-carnitines in various tissues like brain, heart, and muscle continue to attract much interest.
추가 설명
정의ChEBI: An optically active form of O-isobutyrylcarnitine having (R)-configuration.
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