Chem
J-GLOBAL ID:200907080211408662
Nikkaji number:J1.966.759F
2-O-[2-Amino-6(1H)-oxo-9H-purine-9-ylmethyl]-L-glycerol 3-triphosphoric acid
2-O-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルメチル]-L-グリセロール3-三りん酸
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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:
C9 H16 N5 O13 P3
Molecular formula furigana:
C9-H16-N5-O13-P3
Molecular weight:
495.170
InChI:
InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1
InChI key:
OBABDJMYPMAQEP-RXMQYKEDSA-N
SMILES:
Nc1nc2n(CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)cnc2c(=O)[nH]1
Systematic name (3):
2-O-[2-アミノ-6(1H)-オキソ-9H-プリン-9-イルメチル]-L-グリセロール3-三りん酸
{[({[(2R)-2-[(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)メトキシ]-3-ヒドロキシプロポキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}ホスホン酸
{[({[(2R)-2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]-3-hydroxypropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (1):
2-O-[2-Amino-6(1H)-oxo-9H-purine-9-ylmethyl]-L-glycerol 3-triphosphoric acid
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