Chem
J-GLOBAL ID：200907093090185614   Nikkaji number：J2.739.086B

O-Phosphoviomycin

O-ホスホビオマイシン
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： C25H44N13O13P
Molecular formula furigana： C25-H44-N13-O13-P
Molecular weight： 765.679
InChI： InChI=1S/C25H44N13O13P/c26-3-1-2-10(27)4-16(40)32-12-6-30-23(46)18(11-5-17(41)37-24(28)36-11)38-20(43)13(7-31-25(29)47)33-21(44)14(8-39)34-22(45)15(35-19(12)42)9-51-52(48,49)50/h7,10-12,14-15,17-18,39,41H,1-6,8-9,26-27H2,(H,30,46)(H,32,40)(H,33,44)(H,34,45)(H,35,42)(H,38,43)(H3,28,36,37)(H3,29,31,47)(H2,48,49,50)/t10-,11+,12?,14?,15?,17-,18?/m0/s1
InChI key： KFNFRHMHJQINPB-DTXVQXLCSA-N
SMILES： NCCC[C@H](N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(COP(=O)(O)O)NC1=O)[C@H]1C[C@H](O)NC(=N1)N
Systematic name  (3)：
  • N2-(L-βLys-)シクロ[L-A2pr*-3-(ホスホノオキシ)-L-Ala-3-ヒドロキシ-L-Ala-3-(カルバモイルアミノ)Dha-2-[[(4R,6S)-2-アミノ-1,4,5,6-テトラヒドロ-6-ヒドロキシピリミジン]-4-イル]-L-Gly-]
  • {[(2S,5S,11S,15S)-11-[(4R,6S)-2-アミノ-6-ヒドロキシ-1,4,5,6-テトラヒドロピリミジン-4-イル]-8-[(カルバモイルアミノ)メチリデン]-15-[(3S)-3,6-ジアミノヘキサンアミド]-5-(ヒドロキシメチル)-3,6,9,12,16-ペンタオキソ-1,4,7,10,13-ペンタアザシクロヘキサデカン-2-イル]メトキシ}ホスホン酸
  • {[(2S,5S,11S,15S)-11-[(4R,6S)-2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-15-[(3S)-3,6-diaminohexanamido]-5-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-2-yl]methoxy}phosphonic acid
Other name (3)：
  • N2-(L-βLys-)Cyclo[L-A2pr*-3-(phosphonooxy)-L-Ala-3-hydroxy-L-Ala-3-(carbamoylamino)Dha-2-[[(4R,6S)-2-amino-1,4,5,6-tetrahydro-6-hydroxypyrimidine]-4-yl]-L-Gly-]
  • O-Phosphoviomycin
  • O-ホスホビオマイシン
KEGG COMPOUND： C02574
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