3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA (BioDeep_00000008978)

Main id: BioDeep_00000630328

 

human metabolite Endogenous


代谢物信息卡片


{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxy-2,6-dimethyl-5-methylideneheptanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

化学式: C31H52N7O18P3S (935.2302)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C=C(CC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(C)C
InChI: InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25+,29-/m1/s1

描述信息

3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA is a metabolite of limonene and pinene degradation, the byproduct of the enzyme (3S)-3-hydroxyacyl-CoA hydrolyase (EC 4.2.1.17). Limonnene is a naturally occurring monoterpene chemical which is the major component in oil of orange; pinene is a monoterpene abundant in conifers of the Cupressaceae family (Juniper). (PMID: 17192005) [HMDB]
3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA is a metabolite of limonene and pinene degradation, the byproduct of the enzyme (3S)-3-hydroxyacyl-CoA hydrolyase (EC 4.2.1.17). Limonnene is a naturally occurring monoterpene chemical which is the major component in oil of orange; pinene is a monoterpene abundant in conifers of the Cupressaceae family (Juniper). (PMID: 17192005).

同义名列表

6 个代谢物同义名

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxy-2,6-dimethyl-5-methylideneheptanoyl)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-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxy-2,6-dimethyl-5-methylideneheptanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxyphosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid; S-[2-[3-[[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-hydroxy-2,6-dimethyl-5-methylideneheptanethioic acid; S-[2-[3-[[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-hydroxy-2,6-dimethyl-5-methylideneheptanethioate; 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA; CoA 10:1;O



数据库引用编号

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代谢反应

0 个相关的代谢反应过程信息。

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1 个相关的物种来源信息

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