Chemical Compound
S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)
CAS Registry Number
2871-66-1
Primary record
S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)
- 库存
- 9,677 克
- 纯度
- 99.1 %
- CAS
- 2871-66-1
化合物标识与属性
- CAS
- 2871-66-1
- PubChem CID
- 644065
- SMILES
- CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)O
- Canonical SMILES
- CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
名称与同义词
- 3-hydroxybutyryl-CoA
- 3-Hydroxybutyryl-coenzyme A
- beta-hydroxybutyryl-CoA
- 3-hydroxybutanoyl-CoA
- beta-Hydroxybutyryl-coenzyme A
- S-(3-hydroxybutyryl)-CoA
- S-(3-hydroxybutanoyl)-CoA
- a-D-ribofuranosyl]-
- acetoacetyl-coenzyme a
- Coenzyme A, 3-hydroxybutyryl-
- 3-Hydroxybutyryl CoA
- RefChem:94267
- S-(3-hydroxybutyryl)-coenzyme A
- 3-hydroxybutanoyl-coenzyme a
- Coenzyme A, S-(3-hydroxybutanoate)
- S-(3-hydroxybutanoyl)-coenzyme A
- AC1LD8I5
- SCHEMBL60564
- CHEBI:37050
- 2871-66-1
- orb2564222
- S-(3-Hydroxybutyryl)coenzyme A
- SCHEMBL29368967
- EX-A9621X
- C25H42N7O18P3S
- DTXSID90951355
- QHHKKMYHDBRONY-RMNRSTNRSA-N
- CID644065
- LMFA07050212
- DB03612
- C25-H42-N7-O18-P3-S
- PD059589
- NS00124668
- J1.124.221I
- C05116
- Q2815990
- 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] 3-hydroxybutanethioate
- Coenzyme A, S-(3-hydroxybutanoate), labeled with carbon-13
- S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hy
- (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy(3-hydroxy-3-((2-((2-(((3R)-3-hydroxybutanoyl)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-hydroxybutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 1259998-21-4
- 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- 3HC
- 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[[2-[(3-hydroxy-1-oxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-bet
- CAA
- 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) 3-hydroxybutanethioate
- S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-hydroxybutanethioate
- S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)