CoA 4:1 (BioDeep_00000630358)
Secondary id: BioDeep_00000001321, BioDeep_00000004897, BioDeep_00000005214, BioDeep_00001868756, BioDeep_00001868996
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C25H40N7O17P3S (835.1414)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(otcml) 10.54%
分子结构信息
SMILES: CC(=C)C(=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
InChI: 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/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(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
描述信息
同义名列表
11 个代谢物同义名
3-phosphoadenosine 5-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate); vinylacetyl-CoA; but-3-enoyl-CoA; CoA 4:1; 3-phosphoadenosine 5-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}; Methacrylyl-coenzyme A;S-methacryloyl-CoA;S-methacryloyl-coenzyme-A; Methacrylyl-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}; (E)-but-2-enoyl-CoA;trans-butyr-2-enoyl-CoA; Crotonoyl-CoA; Crotonoyl-CoA
数据库引用编号
29 个数据库交叉引用编号
- ChEBI: CHEBI:15543
- ChEBI: CHEBI:27754
- ChEBI: CHEBI:15473
- ChEBI: CHEBI:36926
- KEGG: C02331
- KEGG: C03460
- KEGG: C00877
- PubChem: 11966119
- PubChem: 165390
- PubChem: 5497143
- DrugBank: DB01675
- LipidMAPS: LMFA07050400
- LipidMAPS: LMFA07050350
- LipidMAPS: LMFA07050307
- CAS: 6008-91-9
- CAS: 992-67-6
- PubChem: 4133
- 3DMET: B04740
- NIKKAJI: J1.040.164J
- NIKKAJI: J298.590J
- NIKKAJI: J808.602H
- PubChem: 5381
- 3DMET: B04848
- NIKKAJI: J2.736.219B
- PubChem: 6280
- PDB-CCD: 2MC
- 3DMET: B04898
- NIKKAJI: J2.076.063J
- KNApSAcK: 15473
分类词条
相关代谢途径
Reactome(4)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
2 个相关的物种来源信息
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 9606 - Homo sapiens: 10.1007/S11306-016-1051-4
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- Zhiqiang Wen, Rodrigo Ledesma-Amaro, Minrui Lu, Mingjie Jin, Sheng Yang. Metabolic Engineering of Clostridium cellulovorans to Improve Butanol Production by Consolidated Bioprocessing.
ACS synthetic biology.
2020 02; 9(2):304-315. doi:
10.1021/acssynbio.9b00331. [PMID: 31940438] - Junhu Wan, Hongyang Liu, Jie Chu, Hongquan Zhang. Functions and mechanisms of lysine crotonylation.
Journal of cellular and molecular medicine.
2019 11; 23(11):7163-7169. doi:
10.1111/jcmm.14650. [PMID: 31475443] - Marie Kim, Huynh M Le, Xiulan Xie, Xueyang Feng, Yinjie J Tang, Housna Mouttaki, Michael J McInerney, Wolfgang Buckel. Two pathways for glutamate biosynthesis in the syntrophic bacterium Syntrophus aciditrophicus.
Applied and environmental microbiology.
2015 Dec; 81(24):8434-44. doi:
10.1128/aem.02323-15. [PMID: 26431966] - Kenichiro Yamada, Kaori Aiba, Yasuyuki Kitaura, Yusuke Kondo, Noriko Nomura, Yuji Nakamura, Daisuke Fukushi, Kei Murayama, Yoshiharu Shimomura, James Pitt, Seiji Yamaguchi, Kenji Yokochi, Nobuaki Wakamatsu. Clinical, biochemical and metabolic characterisation of a mild form of human short-chain enoyl-CoA hydratase deficiency: significance of increased N-acetyl-S-(2-carboxypropyl)cysteine excretion.
Journal of medical genetics.
2015 Oct; 52(10):691-8. doi:
10.1136/jmedgenet-2015-103231. [PMID: 26251176] - Heidi Peters, Nicole Buck, Ronald Wanders, Jos Ruiter, Hans Waterham, Janet Koster, Joy Yaplito-Lee, Sacha Ferdinandusse, James Pitt. ECHS1 mutations in Leigh disease: a new inborn error of metabolism affecting valine metabolism.
Brain : a journal of neurology.
2014 Nov; 137(Pt 11):2903-8. doi:
10.1093/brain/awu216. [PMID: 25125611] - Huizheng Wang, Kai Zhang, Jie Zhu, Weiwei Song, Li Zhao, Xiuguo Zhang. Structure reveals regulatory mechanisms of a MaoC-like hydratase from Phytophthora capsici involved in biosynthesis of polyhydroxyalkanoates (PHAs).
PloS one.
2013; 8(11):e80024. doi:
10.1371/journal.pone.0080024. [PMID: 24244597] - Huizheng Wang, Jie Zhu, Weiwei Song, Xiuguo Zhang. Cocrystallization and preliminary crystallographic analysis of an inactive MaoC-like hydratase mutant with the substrate crotonyl-CoA.
Acta crystallographica. Section F, Structural biology and crystallization communications.
2012 Apr; 68(Pt 4):483-5. doi:
10.1107/s1744309112007671. [PMID: 22505426] - Huizheng Wang, Jiubiao Guo, Hai Pang, Xiuguo Zhang. Identification and characterization of a new monoamine oxidase type C-like dehydratase from Phytophthora capsici involved in polyhydroxyalkanoates biosynthesis.
Biotechnology letters.
2010 Nov; 32(11):1719-23. doi:
10.1007/s10529-010-0354-1. [PMID: 20640873] - T Ooiwa, H Goto, Y Tsukamoto, T Hayakawa, S Sugiyama, N Fujitsuka, Y Shimomura. Regulation of valine catabolism in canine tissues: tissue distributions of branched-chain aminotransferase and 2-oxo acid dehydrogenase complex, methacrylyl-CoA hydratase and 3-hydroxyisobutyryl-CoA hydrolase.
Biochimica et biophysica acta.
1995 Feb; 1243(2):216-20. doi:
10.1016/0304-4165(94)00061-2. [PMID: 7873565] - L M Schopfer, V Massey, S Ghisla, C Thorpe. Oxidation-reduction of general acyl-CoA dehydrogenase by the butyryl-CoA/crotonyl-CoA couple. A new investigation of the rapid reaction kinetics.
Biochemistry.
1988 Aug; 27(17):6599-611. doi:
10.1021/bi00417a059. [PMID: 3219356] - R Kramar, K Kremser, M Hohenegger, M Mayer. Fatty acyl-CoA oxidase in rat kidney and liver after application of thyroxine.
Enzyme.
1986; 35(1):27-33. doi:
10.1159/000469315. [PMID: 3732222] - S Ghisla, C Thorpe, V Massey. Mechanistic studies with general acyl-CoA dehydrogenase and butyryl-CoA dehydrogenase: evidence for the transfer of the beta-hydrogen to the flavin N(5)-position as a hydride.
Biochemistry.
1984 Jul; 23(14):3154-61. doi:
10.1021/bi00309a008. [PMID: 6466635]
