Chem
J-GLOBAL ID:200907033207425619
Nikkaji number:J2.737.076D
3-(ADP)-glycerate
アデノシン5′-二りん酸β-(2,3-ジヒドロキシ-3-オキソプロピル)
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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:
C13 H19 N5 O13 P2
Molecular formula furigana:
C13-H19-N5-O13-P2
Molecular weight:
515.265
InChI:
InChI=1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5?,6-,8-,9-,12-/m1/s1
InChI key:
APVQTUURIRQYIT-NRJACJQQSA-N
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O)[C@@H](O)[C@H]1O
Systematic name (3):
アデノシン5′-二りん酸β-(2,3-ジヒドロキシ-3-オキソプロピル)
3-({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(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)-2-ヒドロキシプロパン酸
3-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxypropanoic acid
Other name (2):
Adenosine 5′-diphosphoric acid β-(2,3-dihydroxy-3-oxopropyl) ester
3-(ADP)-glycerate
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