L 681217
기본 정보
- CAS
93522-10-2- 표준 SMILES
C/C=C/C=C/C1OC(O)(C(CC)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2CC(O)C(/C=C/C=C/C=C/C(=O)O)O2)CC(O)C1(C)O- InChIKey
OSKAZZUZQORABG-UHFFFAOYSA-N- 분자식
- C36H53NO10
- 평균 분자량
- 659.8 g/mol
- 단동위원소 질량
- 659.36694689
개요
(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid has been reported in Streptomyces cattleya with data available.
이름 및 식별자
- 우선 이름
- L 681217
- IUPAC
- (2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
- 영어명
- (2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trih ydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]oc ta-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
- 분자식
- C36H53NO10
- 분자량
- 659.81
이름 및 동의어
93522-10-2L 681217L-681,217RefChem:924326(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid(2E,4E,6E)-7-[3-HYDROXY-5-[(4E,6E)-3-METHOXY-4-METHYL-8-[2-[2,4,5-TRIH YDROXY-5-METHYL-6-[(1E,3E)-PENTA-1,3-DIENYL]OXAN-2-YL]BUTANOYLAMINO]OC TA-4,6-DIEN-2-YL]OXOLAN-2-YL]HEPTA-2,4,6-TRIENOIC ACIDSCHEMBL29886451AKOS040746007(2E,4E,6E)-7-(3-hydroxy-5-((4E,6E)-3-methoxy-4-methyl-8-(2-(2,4,5-trihydroxy-5-methyl-6-((1E,3E)-penta-1,3-dien-1-yl)tetrahydro-2H-pyran-2-yl)butanamido)octa-4,6-dien-2-yl)tetrahydrofuran-2-yl)hepta-2,4,6-trienoic acidCS-0066268T243302,4,6-Heptatrienoic acid, 7-(tetrahydro-3-hydroxy-5-(2-methoxy-1,3-dimethyl-7-((1-oxo-2-(tetrahydro-2,4,5-trihydroxy-5-methyl-6-(1,3-pentadienyl)-2H-pyran-2-yl)butyl)amino)-3,5-heptadienyl)-2-furanyl)-
이름 더 보기
L681L-681
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,240
물리화학적 성질
- 끓는 점
- 853.372 · 853.372±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.231 · 1.231±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- DMF: solubleDMSO: solubleEthanol: solubleMethanol: soluble
- 산도 계수 (pKa)
- 4.55 · 4.550±0.10(predicted)
화학 및 산업
응용 분야
용도L 681,217 is a glycolipid-type antibiotic related to the efrotomycin class, isolated from a Streptomyces sp.. L 681,217 also shows broad spectrum antibiotic activity against Gram positive and Gram negative bacteria. L-681,217 inhibits bacterial protein synthesis at the elongation stage, its target being elongation factor Tu (EF-Tu).
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