Cas no 992-67-6 (Crotonoyl-CoA)
Crotonoyl-CoA structure
Product Name:Crotonoyl-CoA
Crotonoyl-CoA Chemical and Physical Properties
Names and Identifiers
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- s-but-2-enoylcoenzyme a
- crotonyl-coenzyme A
- CROTONYL COENZYME A
- Q27458903
- Crotonyl-CoA
- Crotonyl coenzyme A
- Crotonoyl-CoA
- Coenzyme A, S-crotonate (6CI,7CI,8CI)
- Coenzyme A, S-2-butenoate
- (E)-but-2-enoyl-CoA
- CS-0169638
- 2-Butenoyl-Coenzyme A
- 2-butenoyl-CoA
- But-2-enoyl-Coenzyme A
- trans-butyr-2-enoyl-CoA
- SCHEMBL21408790
- 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
- crotonoyl-CoA
- S-Crotonylcoenzyme A
- C00877
- SCHEMBL187862
- LMFA07050307
- (2E)-but-2-enoyl-CoA
- but-2-enoyl-CoA
- Q959BSX9OA
- MCC7979
- Q303169
- CHEBI:15473
- 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
- KFWWCMJSYSSPSK-PAXLJYGASA-N
- CHEBI:36926
- 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
- 992-67-6
- trans-but-2-enoyl-CoA
- Crotonyl CoA
- C25H40N7O17P3S
- 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}
- crotonyl-CoA
- 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}
- trans-But-2-enoyl-Coenzyme A
- HY-141466
- (E)-but-2-enoyl-CoA(4-)
- (2E)-butenoyl-CoA
- S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) but-2-enethioate
- Crotonoyl-CoA
-
- 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)/t14-,18-,19-,20?,24-/m1/s1
- InChI Key: KFWWCMJSYSSPSK-XBTRWLRFSA-N
- SMILES: S(C(C([H])=C([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])N([H])C(C([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C23)O1)O[H])OP(=O)(O[H])O[H])O[H])=O)=O
Computed Properties
- Exact Mass: 835.14142500g/mol
- Monoisotopic Mass: 835.14142500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 53
- Rotatable Bond Count: 21
- Complexity: 1460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.8
- Topological Polar Surface Area: 389
Crotonoyl-CoA Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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