기본 정보
- CAS
116355-84-1- 표준 SMILES
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O- InChIKey
UXDPXZQHTDAXOZ-STOIETHLSA-N- 분자식
- C34H59NO14
- 평균 분자량
- 705.8 g/mol
- 단동위원소 질량
- 705.39355556
개요
Fumonisin B2 is a fumonisin that is (2S,3S,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,14,15-triol in which the hydroxy groups at positions 14 and 15 have each been esterified by condensation with the 1-carboxy group of 3-carboxyglutaric acid (giving a 3-carboxyglutarate ester group with R configuration in each case). It has a role as a carcinogenic agent and an Aspergillus metabolite. It is a diol, a fumonisin, a primary amino compound and a diester.
이름 및 식별자
- 우선 이름
- Fumonisin B2
- IUPAC
- (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
- 영어명
- Fumonisin B2
- 분자식
- C34H59NO14
- 분자량
- 705.83
이름 및 동의어
fumonisin b2116355-84-1fumonisin-B2UX4WHT4MKBCHEBI:38225DTXSID80891857(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-9,11-dihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) ester1,2,3-Propanetricarboxylic acid, 1,1'-[(1S,2R)-1-[(2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2'R)-(2R)-2-(2-((5R,6R,7S,9S,16R,18S,19S)-19-amino-6-((3R)-3,4-dicarboxybutanoyl)oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl)oxy-2-oxoethyl)butanedioic acidRefChem:141698DTXCID201031278
이름 더 보기
FUMONISIN B3FB2B2 Fumonisin B2FUMONISIN B2, 96+%Diquat-d4 DibromideFumonisin B2 (>90%)fumonisin b2solutionFumonisin B2 StandardFUMONISIN B2 SOLUTION (50&MU
1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-((2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester, (2R,2'R)-2-(2-((19-amino-6-((3,4-dicarboxybutanoyl)oxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl)oxy)-2-oxoethyl)butanedioic acidEpitope ID:874503Fumonisin B2, Fusarium moniliformeFumonisin B2 Solution in Methanol, 100ug/mLFumonisin B2 50 |Ig/mL in Acetonitrile/WaterFumonisin B2 50 microg/mL in Acetonitrile/Water(2R,2'R)-2,2'-((((5R,6R,7S,9S,16R,18S,19S)-19-Amino-16,18-dihydroxy-5,9-dimethylicosane-6,7-diyl)bis(oxy))bis(2-oxoethane-2,1-diyl))disuccinic acid
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 268 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,040
실험 및 물리화학적 성질
LipidsLipids -> Sphingolipids [SP] -> Sphingoid bases [SP01] -> Sphingoid base analogs [SP0108]
Collision Cross Section
258 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
259.85 Ų [M+H]+
물리화학적 성질
- 녹는점
- 3200 · <3200(dec)
- 끓는 점
- 705.92 °C · 705.92°C (rough estimate)
- 밀도
- 1.2044 · 1.2044 (rough estimate)
- 굴절률
- 1.663 · 1.6630 (estimate)
- 인화점
- 6 °C · 6 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 회백색 고체
- 산도 계수 (pKa)
- 3 · 3+-.0.23(Predicted)
- 색상
- 미색부터 베이지까지
- 생물학적 소스
- Fusarium sp. (Fusarium moniliforme)
- 안정성
- 흡습성
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChIKey
- CFOIYOQEQJFMGC-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1,2,3-Propanetricarboxylic acid, 1,1'-[(1S,2R)-1-[(2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2'R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 1 (97.6%)
독성 정보
Treatment
There are no known antidotes to trichothecene mycotoxins. Treatments are directed at supporting hemopoietic abnormalities, gastrointestinal damage, and skin damage. Condiser activated charcoal if absorbed orally. Proceed with decontamination of the exposed region in case of eye or dermal contact. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. (A704)
Health Effects
Fumonisins are hepatotoxic and nephrotoxic, causing increased apoptosis followed by regenerative cell proliferation. Leukopenia, sepsis, bone marrow suppression, hemosiderosis, and multiple hemorrhages have all been reported. Contact with skin and eyes can cause coagulation necrosis. Angina, tachycardia, and hypotension may occur. Animals studies have also shown disturbed sphingolipid metabolism and cardiovascular dysfunction. (A704, L1937)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCarcinogenic substances that are found in the environment.
용도 및 제조
UsesFumonisin B2 is a fumonisin mycotoxin produced by the fungi Fusarium verticillioides and Fusarium moniliforme. Fumonisin B2 and other fumonisins frequently contaminate maize and other crops. (L1938)
Use ClassificationFood Contaminant -> MYCOTOXIN -> JECFA Functional Classes
응용 분야
개요Fumonisin B2 belongs to the family of toxins known as fumonisins. It is produced by several species of Fusarium molds primarily by Fusarium verticillioide. It is one of the major mycotoxin contaminant in corn and corn-based foods. Fumonisin B2 is a structural analog of fumonisin B1 but it is more cytotoxic than the latter and it inhibits sphinganine-N-acetyltransferase (ceramide synthase).Fumonisin B2 is a carcinogenic mycotoxin generally present on corn based food and feed-stuff, which is produced by the fungus Fusarium verticillioides and Fusarium moniliforme. Fumonisin B2 can also be detected in the industrially important fungi, Aspergillus niger.
용도Fumonisin B2 is a minor analogue of a family of potent mycotoxins produced by various Fusarium species, associated with animal toxicity worldwide. To date much of the research on the pharmacology of the fumonisins has focused on fumonisin B1. It is generally accepted that fumonisin B2 acts on ceramide biosynthesis, however, the pharmacology of the minor analogues is less well explored.
일반 설명Fumonisin B2 (FB2) is a diester of tricarballylic acid and polyhydric alcohols.. Fumonisins B2 (FB2) does not have one or more hydroxyl groups at the C5 or C10 positions.
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