Chem
J-GLOBAL ID：201307062686603600   Nikkaji number：J3.130.111D

5-O-(Phosphonoacetyl)-D-myo-inositol 1,2,3,4,6-pentaphosphoric acid

5-O-(ホスホノアセチル)-D-myo-イノシトール1,2,3,4,6-ペンタりん酸
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： C8H20O25P6
Molecular formula furigana： C8-H20-O25-P6
Molecular weight： 702.066
InChI： InChI=1S/C8H20O25P6/c9-2(1-34(10,11)12)28-3-4(29-35(13,14)15)6(31-37(19,20)21)8(33-39(25,26)27)7(32-38(22,23)24)5(3)30-36(16,17)18/h3-8H,1H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t3-,4-,5+,6+,7-,8+
InChI key： JGWVNODNEALCIO-QEEWUKHFSA-N
SMILES： OP(=O)(O)CC(=O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O
Systematic name  (3)：
  • 5-O-(ホスホノアセチル)-D-myo-イノシトール1,2,3,4,6-ペンタりん酸
  • {[(1S,2s,3R,4S,5s,6R)-2-[(2-ホスホノアセチル)オキシ]-3,4,5,6-テトラキス(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1S,2s,3R,4S,5s,6R)-2-[(2-phosphonoacetyl)oxy]-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • 5-O-(Phosphonoacetyl)-D-myo-inositol 1,2,3,4,6-pentaphosphoric acid
Thsaurus map：
Thesaurus Map

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