Abacavir (BioDeep_00000002759)
Secondary id: BioDeep_00001868188
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
化学式: C14H18N6O (286.1542)
中文名称: 阿巴卡韦
谱图信息:
最多检出来源 Homo sapiens(blood) 40.53%
分子结构信息
SMILES: C1=C[C@@H](C[C@@H]1CO)n1cnc2c(NC3CC3)nc(N)nc12
InChI: InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)
描述信息
Abacavir is only found in individuals that have used or taken this drug. It is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. [Wikipedia]Abacavir is a carbocyclic synthetic nucleoside analogue. Intracellularly, abacavir is converted by cellular enzymes to the active metabolite carbovir triphosphate, an analogue of deoxyguanosine-5-triphosphate (dGTP). Carbovir triphosphate inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA.
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
C254 - Anti-Infective Agent > C281 - Antiviral Agent
同义名列表
12 个代谢物同义名
4R-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1S-methanol, monohydrochloride; {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol; (1S,4R)-4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol; {4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; Abacavir succinate; Abacavir Sulfate; Abacavir; 1592U89; Ziagen; ABC; Abacavir
数据库引用编号
20 个数据库交叉引用编号
- ChEBI: CHEBI:421707
- KEGG: C07624
- KEGGdrug: D07057
- PubChem: 441300
- PubChem: 1971
- HMDB: HMDB0015182
- Metlin: METLIN64828
- DrugBank: DB01048
- ChEMBL: CHEMBL1380
- Wikipedia: Abacavir
- chemspider: 390063
- CAS: 914348-29-1
- CAS: 136777-48-5
- CAS: 136470-78-5
- PMhub: MS000004780
- PubChem: 9826
- PDB-CCD: 1KX
- NIKKAJI: J825.172J
- RefMet: Abacavir
- KNApSAcK: 421707
分类词条
相关代谢途径
BioCyc(0)
PlantCyc(0)
代谢反应
53 个相关的代谢反应过程信息。
Reactome(52)
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Abacavir transport and metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir ADME:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
AMP + abacavir ⟶ Ade-Rib + xenobiotic
- Abacavir metabolism:
AMP + abacavir ⟶ Ade-Rib + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA
- Abacavir transport and metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir ADME:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir metabolism:
NAD + abacavir ⟶ H+ + NADH + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA
- Abacavir transport and metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir metabolism:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
APAP + UDP-GlcA ⟶ APAP-GlcA + UDP
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
AMP + abacavir ⟶ Ade-Rib + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
APAP + UDP-GlcA ⟶ APAP-GlcA + UDP
- Drug ADME:
6TIMP + H2O + NAD ⟶ 6TXMP + H+ + NADH
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Drug ADME:
IMP + carbovir ⟶ Ino + xenobiotic
- Abacavir transmembrane transport:
ATP + H2O + abacavir ⟶ ADP + Pi + abacavir
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(1)
- Abacavir Action Pathway:
Adenosine triphosphate ⟶ Adenosine monophosphate + Pyrophosphate
PharmGKB(0)
1 个相关的物种来源信息
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
- Sandra Rotea-Salvo, Víctor Giménez-Arufe, Alejandro Martínez-Pradeda, Carla Fernández-Oliveira, Álvaro Mena-de-Cea, Luis Margusino-Framiñán, Isabel Martín-Herranz, Purificación Cid-Silva. Lipid profile changes associated with antiretroviral therapies in a real-world cohort.
Farmacia hospitalaria : organo oficial de expresion cientifica de la Sociedad Espanola de Farmacia Hospitalaria.
2023 Sep; 47(5):T210-T217. doi:
10.1016/j.farma.2023.07.005
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Farmacia hospitalaria : organo oficial de expresion cientifica de la Sociedad Espanola de Farmacia Hospitalaria.
2023 Jun; ?(?):. doi:
10.1016/j.farma.2023.04.007
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Environmental pollution (Barking, Essex : 1987).
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HIV medicine.
2022 04; 23(4):362-370. doi:
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Journal of acquired immune deficiency syndromes (1999).
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AIDS research and therapy.
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The Journal of antimicrobial chemotherapy.
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Reproductive toxicology (Elmsford, N.Y.).
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Clinical and experimental nephrology.
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