Ergotamine (BioDeep_00000003922)
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
化学式: C33H35N5O5 (581.2638)
中文名称: 麦角胺
谱图信息:
最多检出来源 Homo sapiens(blood) 88.62%
分子结构信息
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C
InChI: InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
描述信息
Ergotamine is only found in individuals that have used or taken this drug. It is a vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of migraine disorders. [PubChem]Ergotamine acts on migraine by one of two proposed mechanisms: 1) activation of 5-HT1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache, and 2) activation of 5-HT1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist > C61751 - Ergotamine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics
D012102 - Reproductive Control Agents > D010120 - Oxytocics
同义名列表
34 个代谢物同义名
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; (5-alpha)-12-Hydroxy-2-methyl-5-(phenylmethyl)ergotaman-3,6,18-trione; (5alpha)-12-Hydroxy-2-methyl-5-(phenylmethyl)ergotoman-3,6,18-trione; 12-Hydroxy-2-methyl-5alpha-(phenylmethyl)ergotaman-3,6,18-trione; (5a)-12-Hydroxy-2-methyl-5-(phenylmethyl)ergotoman-3,6,18-trione; (5Α)-12-hydroxy-2-methyl-5-(phenylmethyl)ergotoman-3,6,18-trione; 12-Hydroxy-2-methyl-5α-(phenylmethyl)ergotaman-3,6,18-trione; 12-Hydroxy-2-methyl-5a-(phenylmethyl)ergotaman-3,6,18-trione; 5-Benzyl-12-hydroxy-2-methyl-3,6,18-trioxoergotaman; Sanofi winthrop brand OF ergotamine tartrate; Pfizer brand OF ergotamine tartrate; Krewel brand OF ergotamine tartrate; Lotus brand OF ergotamine tartrate; Ergotamine tartrate (2:1); Tartrate, ergotamine; Ergotamine Tartrate; mono, Ergodryl; Ergodryl mono; Ergotaminine; Ergo kranit; Cornutamine; Ergo-kranit; Ergotaminum; ErgoKranit; ergotamine; Ergo sanol; Ergotamina; Lingraine; Ergotamin; Gynergen; NSC95090; Ergostat; Ergomar; Ergotamine
数据库引用编号
23 个数据库交叉引用编号
- ChEBI: CHEBI:64318
- KEGG: C07544
- PubChem: 11954224
- PubChem: 8223
- PubChem: 3251
- HMDB: HMDB0014834
- Metlin: METLIN2571
- DrugBank: DB00696
- ChEMBL: CHEMBL1982133
- ChEMBL: CHEMBL442
- Wikipedia: Ergotamine
- MeSH: Ergotamine
- KNApSAcK: C00011222
- chemspider: 7930
- CAS: 1080650-16-3
- CAS: 113-15-5
- PMhub: MS000013628
- PubChem: 9747
- KNApSAcK: C00001724
- PDB-CCD: ERM
- 3DMET: B05247
- NIKKAJI: J2.889D
- KNApSAcK: 64318
分类词条
相关代谢途径
Reactome(0)
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)
9 个相关的物种来源信息
- 173841 - Cenchrus echinatus: 10.1021/NP50071A021
- 40602 - Claviceps fusiformis: 10.1128/AEM.01040-07
- 5111 - Claviceps purpurea:
- 98750 - Festuca ovina: 10.1016/S0021-9673(01)83714-6
- 4608 - Festuca pratensis: 10.1016/S0021-9673(01)83714-6
- 52153 - Festuca rubra:
- 9606 - Homo sapiens: -
- 4606 - Lolium arundinaceum:
- 375857 - Scolochloa festucacea:
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
- Priyanka Reddy, Joanne Hemsworth, Kathryn M Guthridge, Antony Vinh, Simone Vassiliadis, Vilnis Ezernieks, German C Spangenberg, Simone J Rochfort. Ergot alkaloid mycotoxins: physiological effects, metabolism and distribution of the residual toxin in mice.
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