Methylmalonic Acid

HCID 487CAS 1215348-94-9

기본 정보

표준 SMILES
CC(C(=O)O)C(=O)O
InChIKey
ZIYVHBGGAOATLY-UHFFFAOYSA-N
분자식
C4H6O4
평균 분자량
118.09 g/mol
단동위원소 질량
118.02660867

이름 및 식별자

우선 이름
Methylmalonic Acid
IUPAC
2-methylpropanedioic acid
영어명
2-Methylpropanedioic acid
분자식
C4H6O4
분자량
118.09

이름 및 동의어

Methylmalonic acid2-Methylmalonic acid516-05-22-Methylpropanedioic acidIsosuccinic acidmethylmalonatePropanedioic acid, methyl-1,1-Ethanedicarboxylic acidmethylpropanedioic acidMalonic acid, methyl-2-methyl-propanedioic acidCHEBI:30860
이름 더 보기
AI315327onic acidNSC 25201AI3 15327AI3-15327Methylmalonicisosuccinicacid
DTXSID001995498LL8S712J7NSC-25201Acid, MethylmalonicRefChem:818643DTXCID10122040208-219-5MFCD00002656

데이터베이스 식별자

CAS
1215348-94-9、516-05-2
PubChem CID
487
DTXSID
DTXSID00199549
ChEMBL
CHEMBL1232416
ChEBI
CHEBI:30860
UNII
8LL8S712J7
EC Number
208-219-5、693-939-6
Nikkaji
J6.302I

물성

구조 계산 물성

XLogP
0.1
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
8

실험 및 물리화학적 성질

Solubility · 2건

679000

679.0 mg/mL

Melting Point · 2건

135

135 °C

Physical DescriptionSolid
Dissociation Constants3.12 (at 20 °C)

물리화학적 성질

녹는점
128 · 128-130 °C (lit.)
끓는 점
272.71 °C · 272.71°C (rough estimate)
밀도
1.45 · 1.45
굴절률
1.4304 · 1.4304 (estimate)
인화점
2 ℃ · 2℃
저장 조건
Sealed in dry,Room Temperature

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 5.4% (3 of 56) of reports.

Warning

H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (94.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 56 reports by companies.;There are 5 notifications provided by 53 of 56 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (94.6%);Eye Irrit. 2 (94.6%);STOT SE 3 (92.9%)

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

독성 정보

Health Effects · 1건

Chronically high levels of methylmalonic acid are associated with at least 5 inborn errors of metabolism including: Malonyl CoA decarboxylase deficiency, Malonic Aciduria, Methylmalonate Semialdehyde Dehydrogenase Deficiency, Methylmalonic Aciduria and Methylmalonic Aciduria Due to Cobalamin-Related Disorders.

Toxicity Summary · 1건

Methylmalonic acid is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. Accumulation of Methylmalonic acid in the body has been shown to be toxic.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
rtecs
OO1400000
ridadr
UN 1648 3 / PGII
HS 번호
29171900
risk_code
36/37/38-36-20/21/22-11
hazard_code
Xi,Xn,F

화학 및 산업

약리 정보

Tissue LocationsKidney;Liver;Placenta
Cellular LocationsCytoplasm
Metabolite Pathways · 1건

2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency;3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency;3-hydroxyisobutyric acid dehydrogenase deficiency;3-hydroxyisobutyric aciduria;3-Methylcrotonyl Coa Carboxylase Deficiency Type I;3-Methylglutaconic Aciduria Type I;3-Methylglutaconic Aciduria Type III;3-Methylglutaconic Aciduria Type IV;Beta-Ketothiolase Deficiency;Isobutyryl-coa dehydrogenase deficiency;Total 22 pathways, visit the HMDB page for details

용도 및 제조

UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
응용 분야 · 2건

용도2-Methylpropanedioic acid binds with coenzyme A to form methylmalonyl-CoA, also a metabolic intermediate transformed to succinic acid (SA) by a vitamin B12-dependent catalytic step, and is broadly used as a clinical biomarker of functional vitamin B12 status.

일반 설명Methylmalonic acid is an indicator of vitamin B12 deficiency and methylmalonic acidemia. This Certified Spiking Solution is suitable for use in preparation of calibrators or controls in clinical and diagnostic testing using GC/MS or LC/MS.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
추가 설명 · 1건

정의ChEBI: Methylmalonic acid is a dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. It has a role as a human metabolite. It is functionally related to a malonic acid. It is a conjugate acid of a methylmalonate(1-).

관련 반응

26건

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