Chem
J-GLOBAL ID：201107026723284780   Nikkaji number：J2.968.929F

Validoxylamine A 6′-O-phosphate

バリドキシルアミンA6′-O-ホスファート
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： C14H26NO11P
Molecular formula furigana： C14-H26-N-O11-P
Molecular weight： 415.332
InChI： InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
InChI key： ZKSTYMJGEHZSFH-MBABXGOBSA-N
SMILES： OCC1=C[C@H](N[C@H]2C[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1,5,6-トリデオキシ-5-[(ホスホノオキシ)メチル]-1-[[(1S)-4β,5α,6β-トリヒドロキシ-3-ヒドロキシメチル-2-シクロヘキセン-1β-イル]アミノ]-D-chiro-イノシトール
  • {[(1R,2R,3S,4S,5S)-2,3,4-トリヒドロキシ-5-{[(1S,4R,5S,6S)-4,5,6-トリヒドロキシ-3-(ヒドロキシメチル)シクロヘキサ-2-エン-1-イル]アミノ}シクロヘキシル]メトキシ}ホスホン酸
  • {[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methoxy}phosphonic acid
Other name (3)：
  • 1,5,6-Trideoxy-5-[(phosphonooxy)methyl]-1-[[(1S)-4β,5α,6β-trihydroxy-3-hydroxymethyl-2-cyclohexene-1β-yl]amino]-D-chiro-inositol
  • バリドキシルアミンA6′-O-ホスファート
  • Validoxylamine A 6′-O-phosphate
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