Chem
J-GLOBAL ID:200907050177527316   Nikkaji number:J1.654.594E

Isoleucyl-adenylate

イソロイシルアデニル酸
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: C16H25N6O8P
Molecular formula furigana: C16-H25-N6-O8-P
Molecular weight: 460.384
InChI: InChI=1S/C16H25N6O8P/c1-3-7(2)9(17)16(25)30-31(26,27)28-4-8-11(23)12(24)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-9,11-12,15,23-24H,3-4,17H2,1-2H3,(H,26,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,15+/m0/s1
InChI key: ACZWYNUJBRLCEC-XATJSACLSA-N
SMILES: CC[C@H](C)[C@H](N)C(=O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (3):
  • L-イソロイシン5′-アデニリル
  • {[(2S,3S)-2-アミノ-3-メチルペンタノイル]オキシ}({[(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})ホスフィン酸
  • {[(2S,3S)-2-amino-3-methylpentanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (3):
  • L-Isoleucine 5′-adenylyl ester
  • イソロイシルアデニル酸
  • Isoleucyl-adenylate
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