Chem
J-GLOBAL ID：200907069937490119   Nikkaji number：J977.967A

CoA-S-acetyl-tryptamine

CoA-S-アセチル-トリプタミン
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： C33H48N9O17P3S
Molecular formula furigana： C33-H48-N9-O17-P3-S
Molecular weight： 967.770
InChI： InChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1
InChI key： ZRDQFWRSRPZOSQ-GMHMEAMDSA-N
SMILES： CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc1c[nH]c2ccccc12
Systematic name  (5)：
  • アデノシン3′-りん酸5′-二りん酸β-[(3R)-4-[[3-[[2-[[2-[[2-(1H-インドール-3-イル)エチル]アミノ]-2-オキソエチル]チオ]エチル]アミノ]-3-オキソプロピル]アミノ]-4-オキソ-3-ヒドロキシ-2,2-ジメチルブチル]
  • アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-2,2-ジメチル-4-[[3-[[2-[2-オキソ-2-[2-(1H-インドール-3-イル)エチルアミノ]エチルチオ]エチル]アミノ]-3-オキソプロピル]アミノ]-4-オキソブチル]]
  • S-[2-(1H-インドール-3-イル)エチルカルバモイルメチル]補酵素A
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-3-{[2-({2-[({[2-(1H-インドール-3-イル)エチル]カルバモイル}メチル)スルファニル]エチル}カルバモイル)エチル]カルバモイル}-2,2-ジメチルプロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[({[2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (7)：
  • Adenosine 3′-phosphoric acid 5′-diphosphoric acid β-[(3R)-4-[[3-[[2-[[2-[[2-(1H-indole-3-yl)ethyl]amino]-2-oxoethyl]thio]ethyl]amino]-3-oxopropyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl] ester
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid β-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[2-oxo-2-[2-(1H-indole-3-yl)ethylamino]ethylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • S-[2-Oxo-2-[2-(1H-indole-3-yl)ethylamino]ethyl]coenzyme A
  • S-[2-オキソ-2-[2-(1H-インドール-3-イル)エチルアミノ]エチル]補酵素A
  • S-[2-(1H-Indole-3-yl)ethylcarbamoylmethyl]coenzyme A
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