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코바마마이드

Cobamamide

HCID 6436143
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
13870-90-1
표준 SMILES
C/C1=C2/[N-]C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])OC2C(O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3N=C(/C=C4N=C1[C@@H](CCC(N)=O)C\4(C)C)[C@@H](CCC(N)=O)[C@]\3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[CH2-]C1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O.[Co+3]
InChIKey
OAJLVMGLJZXSGX-VCABRDNDSA-L
분자식
C72H100CoN18O17P
평균 분자량
1,579.6 g/mol
단동위원소 질량
1,578.658339

개요

Adenosylcobalamin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

이름 및 식별자

우선 이름
Cobamamide
IUPAC
(2S,3S,4R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate
현지명
코바마마이드
영어명
Coenzyme B12
분자식
C72H99CoN18O17P
분자량
1578.6

이름 및 동의어

CobamamideDibencozideFunacomideCalomideadenosylcobalaminDBC coenzymeDeoxyadenosylcobalaminVitamin B12 coenzymeCobamamidaCobamamidumLM 1765-Deoxyadenosylcobalamin
이름 더 보기
코바마마이드COENZYME B125'-deoxyadenosylcobalaminlm176AdoCblCOBAMIDE
Cobamamide [INN:JAN]Cobamamidum [INN-Latin]Cobamamida [INN-Spanish]F0R1QK73KBEINECS 237-627-6BRN 4122932UNII-F0R1QK73KBDesoxy-5'-adenosine-5'alpha-(dimethyl-5,6-benzimidazolyl)cobamide

데이터베이스 식별자

CAS
13870-90-1
PubChem CID
6436143

물성

구조 계산 물성

극성 표면적
571 Ų
수소 결합 공여자 수
12
수소 결합 수용자 수
27
회전 가능 결합 수
17
무거운 원자 수
109
형식 전하
0
복잡도
3,730

물리화학적 성질

저장 조건
-20 °C · -20°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨, 초음파 처리)
산도 계수 (pKa)
3.5 · 3.5(at 25℃)
물리적 상태
고체
색상
빨간색에서 매우 어두운 빨간색까지
수용성
26 g/L · 26g/L(24℃)
Merck
13 · 13,2476
BRN
4122932 · 4122932
안정성
흡습성
화장품 원료 기능
항산화제피부 보호피부 컨디셔닝
InChIKey
WAJLPPDUWGAMTH-NGQUPMDYNA-L

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 및 보호

Minimum Risk LevelChronic Inhalation: 0.0001 mg/m3 (L134) Intermediate Oral: 0.01 mg/kg/day (L134)

독성 정보

TreatmentTreatment of cobalt poisoning is symptomatic. (L29)
Health EffectsExposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (L29, L30)
Exposure RoutesInhalation (L29) ; oral (L29) ; dermal (L29)
Toxicity Summary · 1건

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)

Signs and SymptomsCobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (L2090)
Carcinogen Classification2B, possibly carcinogenic to humans. (L135)
Toxicity Data

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)

용도 및 제조

UsesCobamamide is a form of vitamin B12. (L497)
응용 분야 · 3건

개요Coenzyme B12 (adenosylcobalamin; AdoCbl; 5'-Deoxyadenosylcobalamin) is a form of vitamin B12. It belongs to the corrinoid group of compounds containing a corrin macrocycle and are produced only by certain bacteria and archaea. It is a cofactor for various enzymes, including mutases, eliminases, aminomutases, and reductases. These enzymes catalyze reactions that generate free radicals through the release of the adenosyl group, allowing usually unreactive molecules to become reactive. Genetic mutations in enzymes synthesizing Coenzyme B12 lead to Coenzyme B12 deficiency and methylmalonic aciduria.

용도emulsifying agent

일반 설명Vitamin B12 cobalamin refers to a group of chemically-related cobalt containing molecules. The physiologically active forms of vitamin B12 include methylcobalamin and adenosylcobalamin, whereas hydroxocobalamin (vitamin B12a, OHCbl) and cyanocobalamin (CNCbl) are storage and delivery forms.

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
LD50: 5000 mg/kg (Oral, Guinea pig) (L496)

안전 데이터

wgk
3
rtecs
GG3800000
독성
LD50 oral in guinea pig: 5gm/kg
HS 번호
2936260000
risk_code
36/37/38
hazard_code
Xi
safety_code
22-24/25-36-26
F 고인화성물질
8
스토리지 클래스
11 - Combustible Solids

추가 설명

정의ChEBI: A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.