Chemical Compound
S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)prop-2-enethioate (non-preferred name)
CAS Registry Number
119785-99-8
Primary record
S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)prop-2-enethioate (non-preferred name)
- 库存
- 8,320 克
- 纯度
- 98.4 %
- CAS
- 119785-99-8
化合物标识与属性
- CAS
- 119785-99-8
- PubChem CID
- 6440013
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=C(C=C4)O)O
- Canonical SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(O)cc1
名称与同义词
- 4-coumaroyl-CoA
- p-Coumaroyl-CoA
- coumaroyl-CoA
- 4-Coumaroyl-coenzyme A
- trans-4-coumaroyl-CoA
- p-Coumaroyl CoA
- 4-Coumaroyl CoA
- p-Coumaryl-Coenzyme A
- (E)-p-Coumaroyl-CoA
- (E)-4-coumaroyl-CoA
- Coenzyme A, 4-coumaroyl-
- p-Coumaroyl coenzyme A
- 4-Hydroxycinnamoyl CoA
- 4-Hydroxycinnamoyl-CoA
- 119785-99-8
- AC1O5SSY
- RefChem:918901
- S9S49N6ER4
- UNII-S9S49N6ER4
- trans-4-coumaroyl-coenzyme A
- (E)-4-coumaroyl-coenzyme A
- CHEMBL250086
- DTXSID001028841
- orb3022320
- SCHEMBL23924211
- CHEBI:15499
- CHEBI:85531
- C30H42N7O18P3S
- DTXCID701514475
- LMFA07050265
- CID6440013
- C30-H42-N7-O18-P3-S
- NC183540
- C00223
- J796.717I
- S-[3-(4-Hydroxyphenyl)propenoyl]coenzyme A
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
- J1.314.804J
- Coenzyme A, S-(3-(4-hydroxyphenyl)-2-propenoate), (E)-
- Q2998866
- 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)-3-(4-hydroxyphenyl)prop-2-enethioate
- Coenzyme A, S-((2E)-3-(4-hydroxyphenyl)-2-propenoate)
- Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]
- (E)-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) 3-(4-hydroxyphenyl)prop-2-enethioate
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[3-(4-hydroxyphenyl)propenoylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[(4-hydroxycinnamoyl)thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[3-(4-hydroxyphenyl)propenoyl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
- Adenosine 5 -[diphosphoric acid beta-[(R)-4-[[2-[[2-(p-hydroxycinnamoylthio)ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3 -phosphoric acid
- S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)prop-2-enethioate (non-preferred name)
- WCA