Chem
J-GLOBAL ID：200907000148602760   Nikkaji number：J1.824.557D

S-[5′-O-Phosphonoriboflavin-4aβ(5H)-yl]-L-cysteine

S-[5′-O-ホスホノリボフラビン-4aβ(5H)-イル]-L-システイン
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： C20H28N5O11PS
Molecular formula furigana： C20-H28-N5-O11-P-S
Molecular weight： 577.500
InChI： InChI=1S/C20H28N5O11PS/c1-8-3-11-12(4-9(8)2)25(5-13(26)15(28)14(27)6-36-37(33,34)35)17-20(24-11,18(31)23-19(32)22-17)38-7-10(21)16(29)30/h3-4,10,13-15,24,26-28H,5-7,21H2,1-2H3,(H,29,30)(H,23,31,32)(H2,33,34,35)/t10-,13-,14+,15-,20-/m0/s1
InChI key： BISOKSDKODSZRE-SFIRDUTASA-N
SMILES： Cc1cc2N[C@@]3(SC[C@H](N)C(=O)O)C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C
Systematic name  (3)：
  • S-[5′-O-ホスホノリボフラビン-4aβ(5H)-イル]-L-システイン
  • (2R)-3-{[(4aS)-7,8-ジメチル-2,4-ジオキソ-10-[(2S,3S,4R)-2,3,4-トリヒドロキシ-5-(ホスホノオキシ)ペンチル]-2H,3H,4H,4aH,5H,10H-ベンゾ[g]プテリジン-4a-イル]スルファニル}-2-アミノプロパン酸
  • (2R)-3-{[(4aS)-7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pentyl]-2H,3H,4H,4aH,5H,10H-benzo[g]pteridin-4a-yl]sulfanyl}-2-aminopropanoic acid
Other name (1)：
  • S-[5′-O-Phosphonoriboflavin-4aβ(5H)-yl]-L-cysteine
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