기본 정보
- 표준 SMILES
O=C(O)C=CCC(=O)O- InChIKey
XVOUMQNXTGKGMA-UHFFFAOYSA-N- 분자식
- C5H6O4
- 평균 분자량
- 130.1 g/mol
- 단동위원소 질량
- 130.02660867
개요
Glutaconic acid is an organic compound with general formula C5H6O4. The compound is a dicarboxylic acid and related with the fully saturated glutaric acid.
이름 및 식별자
- 우선 이름
- Pentenedioic acid
- IUPAC
- pent-2-enedioic acid
이름 및 동의어
Pentenedioic acidRefChem:1094559CHEBI:36129SCHEMBL218412-Pentenedioic acid,(2E)-SCHEMBL7619085XVOUMQNXTGKGMA-UHFFFAOYSA-NAKOS025243555DB-008609NS00015238Q27109839
데이터베이스 식별자
- CAS
1724-02-3- PubChem CID
- 74406
- DTXSID
DTXSID40862740
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 147
안전 및 규제
독성 정보
Health EffectsChronically high levels of glutaconic acid are associated with Glutaric Aciduria Type I.
Toxicity Summary
Accumulating trans-glutaconic (TG) acids has been proposed to be involved in the development of the striatal degeneration seen in children with glutaric acidemia type 1 (GA1) via an excitotoxic mechanism. TG is neurotoxic and neurotoxicity is thought to be caused by an excitotoxic mechanism in which TG overactivates N-methyl-D-aspartate (NMDA) receptors. (A15451) In glutaric aciduria type 1, glutaconic acid accumulates, resulting in brain damage. (Wikipedia)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
화학 및 산업
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.
관련 반응
3건
연결된 노트
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