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Pyruvate

HCID 107735
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
57-60-3
표준 SMILES
CC(=O)C(=O)[O-]
InChIKey
LCTONWCANYUPML-UHFFFAOYSA-M
분자식
C3H3O3-
평균 분자량
87.05 g/mol
단동위원소 질량
87.00821895

개요

Pyruvate is a 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group. It has a role as a cofactor and a fundamental metabolite. It is functionally related to a propionate. It is a conjugate base of a pyruvic acid.

이름 및 식별자

우선 이름
Pyruvate
IUPAC
2-oxopropanoate

이름 및 동의어

pyruvate2-Oxopropanoate57-60-3HO43T60JMGPropanoic acid, 2-oxo-, ion(1-)CHEBI:15361DTXSID50205604RefChem:871148DTXCID40128095MethylglyoxylatePyruvate ion2-oxopropanoic acid, ion(1-)
이름 더 보기
2-oxo-Propanoic acidCHEMBL1818862hzlUNII-HO43T60JMGPYRUVIC ACID, ION(1-)LCTONWCANYUPML-UHFFFAOYSA-MBDBM50159792PD162526

데이터베이스 식별자

CAS
57-60-3
PubChem CID
107735
DTXSID
DTXSID50205604
ChEMBL
CHEMBL1162144
ChEBI
CHEBI:15361
UNII
HO43T60JMG
EC Number
106-312-4
Nikkaji
J469.720K

물성

구조 계산 물성

XLogP
-0.6
극성 표면적
57.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
6
형식 전하
-1
복잡도
78.5

실험 및 물리화학적 성질

Dietary IngredientsPyruvate

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

독성 정보

Exposure RoutesPyruvate is absorbed from the gastrointestinal tract from whence it is transported to the liver via the portal circulation.
Toxicity Summary · 1건

Pyruvate serves as a biological fuel by being converted to acetyl coenzyme A, which enters the tricarboxylic acid or Krebs cycle where it is metabolized to produce ATP aerobically. Energy can also be obtained anaerobically from pyruvate via its conversion to lactate. Pyruvate injections or perfusions increase contractile function of hearts when metabolizing glucose or fatty acids. This inotropic effect is striking in hearts stunned by ischemia/reperfusion. The inotropic effect of pyruvate requires intracoronary infusion. Among possible mechanisms for this effect are increased generation of ATP and an increase in ATP phosphorylation potential. Another is activation of pyruvate dehydrogenase, promoting its own oxidation by inhibiting pyruvate dehydrogenase kinase. Pyruvate dehydrogenase is inactivated in ischemia myocardium. Yet another is reduction of cytosolic inorganic phosphate concentration. Pyruvate, as an antioxidant, is known to scavenge such reactive oxygen species as hydrogen peroxide and lipid peroxides. Indirectly, supraphysiological levels of pyruvate may increase cellular reduced glutathione.

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

화학 및 산업

약리 정보

Metabolism/MetabolitesIn the liver, pyruvate is metabolized via several pathways.

용도 및 제조

UsesFor nutritional supplementation, also for treating dietary shortage or imbalance

관련 반응

91건
반응 기록 만들기
HRID 137812 반응식
HRID 137812반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 221210 반응식
HRID 221210반응물로uspto-grants-2012_06
HRID 233548 반응식
HRID 233548용매로uspto-grants-1997_01
HRID 233550 반응식
HRID 233550반응물로uspto-grants-1997_01
HRID 233556 반응식
HRID 233556반응물로uspto-grants-1997_01
HRID 387419 반응식
HRID 387419반응물로uspto-grants-2013_02
HRID 405668 반응식
HRID 405668반응물로uspto-grants-2014_06
HRID 418401 반응식
HRID 418401반응물로uspto-grants-2012_01
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