Chem
J-GLOBAL ID：201007097980890141   Nikkaji number：J2.802.260C

3-Hydroxy-OPC6-CoA

3-ヒドロキシ-OPC6-CoA
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： C37H60N7O19P3S
Molecular formula furigana： C37-H60-N7-O19-P3-S
Molecular weight： 1031.900
InChI： InChI=1S/C37H60N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-24,26,30-32,36,45,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,23?,24-,26+,30+,31+,32?,36+/m0/s1
InChI key： OMDQVIUYDJAWHX-YILSYMQESA-N
SMILES： CC/C=C\C[C@H]1[C@@H](CCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(=O)(O)O)n2cnc3c(N)ncnc23)CCC1=O
Systematic name  (3)：
  • アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-[[3-ヒドロキシ-6-[(1S,2S)-2-[(Z)-2-ペンテニル]-3-オキソシクロペンチル]ヘキサノイル]チオ]エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
  • {[(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({3-ヒドロキシ-3-[(2-{[2-({3-ヒドロキシ-6-[(1S,2S)-3-オキソ-2-[(2Z)-ペンタ-2-エン-1-イル]シクロペンチル]ヘキサノイル}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({3-hydroxy-3-[(2-{[2-({3-hydroxy-6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[3-hydroxy-6-[(1S,2S)-2-[(Z)-2-pentenyl]-3-oxocyclopentyl]hexanoyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-Hydroxy-OPC6-CoA
  • 3-ヒドロキシ-OPC6-CoA
KEGG COMPOUND： C16333
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM