Chem
J-GLOBAL ID:201007085506634608
Nikkaji number:J2.802.631E
trans-Geranyl-CoA
trans-ゲラニル-CoA
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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:
C31 H50 N7 O17 P3 S
Molecular formula furigana:
C31-H50-N7-O17-P3-S
Molecular weight:
917.750
InChI:
InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26?,30-/m1/s1
InChI key:
FWLPCGPDGSQPGT-PGPMCJKDSA-N
SMILES:
CC(=CCC/C(=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(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)C
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-[[(2E)-3,7-ジメチル-1-オキソ-2,6-オクタジエニル]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)-2-({[({[3-({2-[(2-{[(2E)-3,7-ジメチルオクタ-2,6-ジエノイル]スルファニル}エチル)カルバモイル]エチル}カルバモイル)-3-ヒドロキシ-2,2-ジメチルプロポキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[3-({2-[(2-{[(2E)-3,7-dimethylocta-2,6-dienoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (3):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(2E)-3,7-dimethyl-1-oxo-2,6-octadienyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
trans-Geranyl-CoA
trans-ゲラニル-CoA
Thsaurus map:
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