(R)-Acetoin (BioDeep_00000014907)

human metabolite BioNovoGene_Lab2019 Volatile Flavor Compounds natural product

代谢物信息卡片

3-Hydroxy-2-butanone, Acetylmethylcarbinol

化学式: C4H8O2 (88.0524268)
中文名称: 乙偶姻
谱图信息: 最多检出来源 Homo sapiens(blood) 2.13%

分子结构信息

SMILES: CC(=O)[C@@H](C)O
InChI: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1

描述信息

Constituent of butter and produced by many microorganisms [DFC] Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is used as a food flavoring (in baked goods) and a fragrance. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. [Wikipedia].
Constituent of butter and produced by many microorganisms [DFC]

同义名列表

11 个代谢物同义名

3-Hydroxy-2-butanone, Acetylmethylcarbinol; (3R)-3-hydroxybutan-2-one; (R)-3-Hydroxybutan-2-one; (R)-3-Hydroxy-2-butanone; (R)-Dimethylketol; (R)-2-Acetoin; (R)-Acetoin; acetoin; (R)-Acetoin; Acetoin; Acetoin

数据库引用编号

20 个数据库交叉引用编号

ChEBI: CHEBI:15686
KEGG: C00810
PubChem: 439314
HMDB: HMDB0303161
Metlin: METLIN103
DrugBank: DB04364
foodb: FDB008099
CAS: 53584-56-8
CAS: 513-86-0
PubChem: 4068
LipidMAPS: LMFA12000064
PDB-CCD: HBR
3DMET: B00180
NIKKAJI: J2.623I
BioNovoGene_Lab2019: BioNovoGene_Lab2019-462
KNApSAcK: 15686
KEGG: C00466
PubChem: 3750
KNApSAcK: 15688
LOTUS: LTS0212897

分类词条

代谢反应

40 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(40)

(R,R)-butanediol degradation: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
pyruvate fermentation to (R)-acetoin I: (R)-acetoin + NAD⁺ ⟶ H⁺ + NADH + diacetyl
pyruvate fermentation to (R)-acetoin II: (S)-2-acetolactate + H⁺ ⟶ (R)-acetoin + CO₂
meso-butanediol biosynthesis I: (R,S)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of (R,R)-butanediol biosynthesis: (S)-2-acetolactate + H⁺ ⟶ (R)-acetoin + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of 2,3-butanediol biosynthesis: (S)-2-acetolactate + H⁺ ⟶ (R)-acetoin + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of acetoin and butanediol biosynthesis: H⁺ + acetaldehyde + pyruvate ⟶ CO₂ + acetoin
butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
(R,R)-butanediol degradation: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of (R,R)-butanediol biosynthesis: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of (R,R)-butanediol biosynthesis: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
(R,R)-butanediol degradation: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
pyruvate fermentation to (R)-acetoin II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
pyruvate fermentation to (R)-acetoin I: (R)-acetoin + NAD⁺ ⟶ H⁺ + NADH + diacetyl
(R,R)-butanediol degradation: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
superpathway of (R,R)-butanediol biosynthesis: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
pyruvate fermentation to (R)-acetoin I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
pyruvate fermentation to (R)-acetoin II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R,R)-butanediol biosynthesis: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
(R,R)-butanediol degradation: (R,R)-2,3-butanediol + NAD⁺ ⟶ (R)-acetoin + H⁺ + NADH
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis I: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
(R)-acetoin biosynthesis II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂
pyruvate fermentation to (R)-acetoin II: H⁺ + pyruvate ⟶ (S)-2-acetolactate + CO₂

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

10 个相关的物种来源信息

2 - Bacteria: LTS0212897
1653 - Corynebacteriaceae: LTS0212897
1716 - Corynebacterium: LTS0212897
1718 - Corynebacterium glutamicum: 10.1002/EJOC.201000155
1718 - Corynebacterium glutamicum: LTS0212897
9606 - Homo sapiens: -
1883 - Streptomyces: LTS0212897
33903 - Streptomyces avermitilis: 10.1007/BF01022627
33903 - Streptomyces avermitilis: LTS0212897
2062 - Streptomycetaceae: LTS0212897

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。