Heroin (BioDeep_00000001475)
Chemicals and Drugs
代谢物信息卡片
化学式: C21H23NO5 (369.15761480000003)
中文名称: 海洛因
谱图信息:
最多检出来源 Viridiplantae(plant) 87.5%
分子结构信息
SMILES: CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C
InChI: InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
描述信息
A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses.
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics
CONFIDENCE standard compound; INTERNAL_ID 1533
同义名列表
4 个代谢物同义名
Heroin; Diacetylmorphine (Heroin); Diamorphine (heroin); Acetomorphin
数据库引用编号
20 个数据库交叉引用编号
- ChEBI: CHEBI:27808
- KEGG: C06534
- KEGGdrug: D07286
- PubChem: 5462328
- PubChem: 3592
- Metlin: METLIN1987
- DrugBank: DB01452
- ChEMBL: CHEMBL459324
- MeSH: Heroin
- CAS: 561-27-3
- MoNA: AU153305
- MoNA: AU153304
- MoNA: AU153303
- MoNA: AU153302
- MoNA: AU153301
- PMhub: MS000000595
- MetaboLights: MTBLC27808
- PubChem: 8764
- 3DMET: B02057
- NIKKAJI: J6.494G
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
2 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PharmGKB(0)
0 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
- Nikolaos Rousis, Richard Bade, Iván Romero-Sánchez, Jochen F Mueller, Nikolaos S Thomaidis, Kevin V Thomas, Emma Gracia-Lor. Festivals following the easing of COVID-19 restrictions: Prevalence of new psychoactive substances and illicit drugs.
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Journal of analytical toxicology.
2019 Jul; 43(6):444-451. doi:
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Zhen ci yan jiu = Acupuncture research.
2019 May; 44(5):323-8. doi:
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Drug and alcohol dependence.
2019 05; 198(?):136-139. doi:
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Journal of molecular modeling.
2019 Apr; 25(5):121. doi:
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Drug and alcohol dependence.
2019 04; 197(?):220-227. doi:
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BMJ case reports.
2019 Mar; 12(3):. doi:
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Journal of psychopharmacology (Oxford, England).
2019 03; 33(3):383-391. doi:
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Drug testing and analysis.
2019 Mar; 11(3):536-540. doi:
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Journal of neurology.
2019 Feb; 266(2):316-329. doi:
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Drug and alcohol review.
2018 11; 37(7):847-850. doi:
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The International journal on drug policy.
2018 11; 61(?):52-58. doi:
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Journal of analytical toxicology.
2018 Oct; 42(8):581-585. doi:
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Psychopharmacology.
2018 Oct; 235(10):2823-2829. doi:
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Chemico-biological interactions.
2018 Sep; 293(?):107-114. doi:
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Harm reduction journal.
2018 09; 15(1):46. doi:
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Forensic science international.
2018 Sep; 290(?):121-128. doi:
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Clinical journal of the American Society of Nephrology : CJASN.
2018 07; 13(7):975-976. doi:
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Analytical and bioanalytical chemistry.
2018 Jun; 410(16):3885-3903. doi:
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Journal of analytical toxicology.
2018 Jun; 42(5):311-320. doi:
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Journal of analytical toxicology.
2018 May; 42(4):255-264. doi:
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The International journal on drug policy.
2018 05; 55(?):113-120. doi:
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The Journal of pharmacology and experimental therapeutics.
2018 05; 365(2):346-353. doi:
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BMC neuroscience.
2018 03; 19(1):4. doi:
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International clinical psychopharmacology.
2018 03; 33(2):111-119. doi:
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Scientific reports.
2018 02; 8(1):2590. doi:
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Journal of substance abuse treatment.
2018 02; 85(?):38-44. doi:
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Journal of medicinal chemistry.
2018 01; 61(1):329-343. doi:
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Clinical toxicology (Philadelphia, Pa.).
2018 Jan; 56(1):37-42. doi:
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PloS one.
2018; 13(7):e0200105. doi:
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European addiction research.
2018; 24(2):88. doi:
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Journal of the American Chemical Society.
2017 10; 139(42):14954-14960. doi:
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Journal of molecular histology.
2017 Aug; 48(4):285-292. doi:
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BMJ case reports.
2017 Jun; 2017(?):. doi:
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Medical science monitor : international medical journal of experimental and clinical research.
2017 Jun; 23(?):2805-2815. doi:
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Journal of analytical toxicology.
2017 Jun; 41(5):451-454. doi:
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Substance abuse treatment, prevention, and policy.
2017 05; 12(1):25. doi:
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Brain, behavior, and immunity.
2017 May; 62(?):171-179. doi:
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Journal of analytical toxicology.
2017 May; 41(4):318-324. doi:
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Microbes and infection.
2017 Apr; 19(4-5):288-294. doi:
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Drug testing and analysis.
2017 Mar; 9(3):470-478. doi:
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Advances in chronic kidney disease.
2017 03; 24(2):80-85. doi:
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European archives of psychiatry and clinical neuroscience.
2017 Feb; 267(1):33-40. doi:
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