基本情報
- 標準SMILES
C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2- InChIKey
ACKRRKSNOOISSG-VPENINKCSA-N- 分子式
- C5H10BO7-
- 平均分子量
- 192.94 g/mol
- 単同位体質量
- 193.05250664
概要
Autoinducer-2 is an organic anion that is a borate diester derived from a furanose and acts a universal signal molecule mediating intra- and interspecies communication among bacteria. It has a role as an autoinducer and a bacterial metabolite.
名称と識別子
- 優先名称
- Autoinducer 2
- IUPAC
- (1R,5S,8S)-3,3-dihydroxy-5-methyl-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octane-1,8-diol
名称と別名
Autoinducer-2Autoinducer 2CHEBI:40646DTXSID201027132(1R,5S,8S)-3,3-dihydroxy-5-methyl-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octane-1,8-diol406683-36-1DTXSID201028330(1R,5S,8S)-3,3-dihydroxy-5-methyl-2,4,6-trioxa-3-boranuidabicyclo(3.3.0)octane-1,8-diolRefChem:1077359DTXCID001838406DTXCID401513911(4S)-4,5-Dihydroxy-2,3-pentanedione
名称をさらに表示
AI-2(1R,2S,5S)-7,7-Dihydroxy-5-methyl-4,6,8-trioxa-7-boranuidabicyclo[3.3.0]octane-1,2-diol3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOLAI2Autoinducer IIAI-2 autoinducer(S)-THMF-borateAI-2 (vibrio)
データベース識別子
- PubChem CID
- 446576
- DTXSID
DTXSID201027132- ChEMBL
CHEMBL1230903- ChEBI
CHEBI:40646- Nikkaji
- J2.048.999E
物性
構造計算による物性
- 極性表面積
- 109 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- -1
- 複雑度
- 245
関連反応
2 件
化合物ノート
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