Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L3FC7W
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Ligand Name |
crotonoyl-CoA
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Synonyms |
crotonoyl-CoA; crotonyl-CoA; 2-butenoyl-CoA; but-2-enoyl-CoA; crotonyl-coenzyme A; trans-but-2-enoyl-CoA; (E)-but-2-enoyl-CoA; trans-butyr-2-enoyl-CoA; 992-67-6; S-But-2-enoylcoenzyme A; CROTONYL COENZYME A; 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}; Q959BSX9OA; Crotonyl CoA; S-Crotonylcoenzyme A; 2-Butenoyl-Coenzyme A; But-2-enoyl-Coenzyme A; (2E)-but-2-enoyl-CoA; SCHEMBL187862; trans-But-2-enoyl-Coenzyme A; SCHEMBL21408790; CHEBI:15473; CHEBI:36926; MCC7979; COENZYME A, S-2-BUTENOATE; ZINC8551257; LMFA07050307; MFCD31560858; S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-but-2-enethioate; HY-141466; CS-0169638; C00877; Q303169; 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(but-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}; 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E)-1-oxo-2-butenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-bet; S-(2-(3-(((2S)-4-((((2R,3S,4S,5R)-5-(6-AMINOPURIN-9-YL)-4-OXIDANYL-3-PHOSPHONOOXY-OXOLAN-2-YL)METHOXY-OXIDANYL-PHOSPHORYL)OXY-OXIDANYL-PHOSPHORYL)OXY-3,3-DIMETHYL-2-OXIDANYL-BUTANOYL)AMINO)PROPANOYLAMINO)ETHYL) BUT-2-ENETHIOATE
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Structure |
Download2D MOL
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Formula |
C25H40N7O17P3S
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Canonical SMILES |
CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
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InChI |
1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
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InChIKey |
KFWWCMJSYSSPSK-PAXLJYGASA-N
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PubChem Compound ID |
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