Chem
J-GLOBAL ID：200907099775853758   Nikkaji number：J1.996.004H

Coenzyme F430

補酵素F430
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C42H52N6O13
Molecular formula furigana： C42-H52-N6-O13
Molecular weight： 848.907
InChI： InChI=1S/C42H52N6O13/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27/h13,18-23,25,27,45H,3-12,14-17H2,1-2H3,(H2,43,50)(H,48,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b24-13-,39-37-/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-/m0/s1
InChI key： KMTVBYWGAWTPRR-WRLFJODKSA-N
SMILES： C[C@]1(CC(=O)N)[C@H](CCC(=O)O)[C@@H]2C[C@]34NC(=O)C[C@@]3(C)[C@H](CCC(=O)O)C(=N4)/C=C/3\N/C(=C/4\C5=N[C@H](CC1=N2)[C@@H](CC(=O)O)[C@@H]5CCC4=O)/[C@@H](CCC(=O)O)[C@@H]3CC(=O)O
Systematic name  (3)：
  • 5,6aα-[(3S,4S,9R,13S,1Z,5E,7E,11Z)-3-(カルボキシメチル)-4-(2-カルボキシエチル)-11,13-[(2S,3S)-1-カルバモイル-2-メチル-5-カルボキシペンタン-2,3-ジイル]-2,5-エピミノ-6,7,9-[(4S,5S)-1-オキソ-6-カルボキシヘキサン-1,4,5-トリイル]-8,12-ジアザテトラデカン-1,5,7,11-テトラエン-1,14-ジイル]-2-オキソ-3aα-メチル-1,2,3,3a,4,6a-ヘキサヒドロピロロ[2,3-b]ピロール-4α-プロピオン酸
  • 3-[(1R,3S,4S,5S,8R,11S,15E,17S,18S,19Z,22S,23S,29S)-5-(カルバモイルメチル)-17,22-ビス(2-カルボキシエチル)-18,29-ビス(カルボキシメチル)-5,23-ジメチル-14,25-ジオキソ-9,26,27,28,30-ペンタアザヘプタシクロ[19.5.1.13,6.18,11.116,19.01,23.010,15]トリアコンタ-6(30),9,15,19,21(27)-ペンタエン-4-イル]プロパン酸
  • 3-[(1R,3S,4S,5S,8R,11S,15E,17S,18S,19Z,22S,23S,29S)-5-(carbamoylmethyl)-17,22-bis(2-carboxyethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.010,15]triaconta-6(30),9,15,19,21(27)-pentaen-4-yl]propanoic acid
Other name (3)：
  • 5,6aα-[(3S,4S,9R,13S,1Z,5E,7E,11Z)-3-(Carboxymethyl)-4-(2-carboxyethyl)-11,13-[(2S,3S)-1-carbamoyl-2-methyl-5-carboxypentane-2,3-diyl]-2,5-epimino-6,7,9-[(4S,5S)-1-oxo-6-carboxyhexane-1,4,5-triyl]-8,12-diazatetradecane-1,5,7,11-tetrene-1,14-diyl]-2-oxo-3aα-methyl-1,2,3,3a,4,6a-hexahydropyrrolo[2,3-b]pyrrole-4α-propionic acid
  • Coenzyme F430
  • 補酵素F430
KEGG COMPOUND： C05777
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