Chem
J-GLOBAL ID：200907066889912120   Nikkaji number：J1.100.870D

Pyranopterin

ピラノプテリン
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： C10H14N5O6PS2
Molecular formula furigana： C10-H14-N5-O6-P-S2
Molecular weight： 395.340
InChI： InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
InChI key： HPEUEJRPDGMIMY-IFQPEPLCSA-N
SMILES： Nc1nc2N[C@@H]3O[C@H](COP(=O)(O)O)C(=C(S)[C@@H]3Nc2c(=O)[nH]1)S
Systematic name  (5)：
  • [(7R)-2-アミノ-3,4,8aα,9,10,10aα-ヘキサヒドロ-4-オキソ-5,6-ジメルカプト-7H-1,3,9,10-テトラアザ-8-オキサアントラセン-7β-イル]メチルホスファート
  • (2R)-2α-[(ホスホノオキシ)メチル]-3,4-ジメルカプト-7-アミノ-2,4aβ,5,6,9,9aβ,10-ヘプタヒドロ-1-オキサ-6,8,9,10-テトラアザアントラセン-5-オン
  • 5,5aα,9aα,10-テトラヒドロ-2-アミノ-6,7-ジメルカプト-8β-(ホスホノオキシメチル)-8H-9-オキサベンゾ[g]プテリジン-4(3H)-オン
  • {[(5aR,8R,9aR)-2-アミノ-4-オキソ-6,7-ジスルファニル-3H,4H,5H,5aH,8H,9aH,10H-ピラノ[3,2-g]プテリジン-8-イル]メトキシ}ホスホン酸
  • {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphonic acid
Other name (5)：
  • [(7R)-2-Amino-3,4,8aα,9,10,10aα-hexahydro-4-oxo-5,6-dimercapto-7H-1,3,9,10-tetraaza-8-oxaanthracene-7β-yl]methylphosphate
  • ピラノプテリン
  • Pyranopterin
  • (2R)-2α-[(Phosphonooxy)methyl]-3,4-dimercapto-7-amino-2,4aβ,5,6,9,9aβ,10-heptahydro-1-oxa-6,8,9,10-tetraazaanthracene-5-one
  • 5,5aα,9aα,10-Tetrahydro-2-amino-6,7-dimercapto-8β-(phosphonooxymethyl)-8H-9-oxabenzo[g]pteridine-4(3H)-one
KEGG COMPOUND： C05924
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