기본 정보
- 표준 SMILES
O=C([O-])CCO- InChIKey
ALRHLSYJTWAHJZ-UHFFFAOYSA-M- 분자식
- C3H5O3-
- 평균 분자량
- 89.07 g/mol
- 단동위원소 질량
- 89.02386902
이름 및 식별자
- 우선 이름
- 3-Hydroxypropionate
- IUPAC
- 3-hydroxypropanoate
이름 및 동의어
3-HydroxypropionateCHEBI:165101190-23-4RefChem:943893-hyroxypropionate3-Hydropropionic acidALRHLSYJTWAHJZ-UHFFFAOYSA-MQ27101949
데이터베이스 식별자
- PubChem CID
- 5459847
- ChEBI
CHEBI:16510- Nikkaji
- J410.703I
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 60.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- -1
- 복잡도
- 44
안전 및 규제
독성 정보
Health Effects
Chronically high levels of hydroxypropionic acid are associated with at least 5 inborn errors of metabolism including: Biotinidase deficiency, Malonic Aciduria, Methylmalonate Semialdehyde Dehydrogenase Deficiency, Methylmalonic Aciduria, Methylmalonic, Aciduria Due to Cobalamin-Related Disorders and Propionic acidemia.
Toxicity Summary
3-hydroxypropionic acid (3HP) toxicity is mediated by 3-hydroxypropionic aldehyde (reuterin). 3HP toxicity is also proposed to be related to inhibition of the chorismate and threonine super-pathways. Generally, the toxicity mechanism of 3HP is not understood at the molecular level. (A15450)
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
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