Chem
J-GLOBAL ID:200907038392030449
Nikkaji number:J1.354.110H
N-(5′-Adenylyl)alanine 1-methyl ester
N-(5′-アデニリル)アラニン1-メチル
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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:
C14 H21 N6 O8 P
Molecular formula furigana:
C14-H21-N6-O8-P
Molecular weight:
432.330
InChI:
InChI=1S/C14H21N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,21-22H,3H2,1-2H3,(H2,15,16,17)(H2,19,24,25)/t6-,7+,9+,10+,13+/m0/s1
InChI key:
KHSIAISBDZSYJB-WFMPWKQPSA-N
SMILES:
COC(=O)[C@H](C)NP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name (3):
N-(5′-アデニリル)アラニン1-メチル
{[(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}({[(2S)-1-メトキシ-1-オキソプロパン-2-イル]アミノ})ホスフィン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2S)-1-methoxy-1-oxopropan-2-yl]amino})phosphinic acid
Other name (1):
N-(5′-Adenylyl)alanine 1-methyl ester
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