Ergonovine (BioDeep_00000398715)

Main id: BioDeep_00000003717

 

natural product PANOMIX_OTCML-2023


代谢物信息卡片


Ergometrine

化学式: C19H23N3O2 (325.179)
中文名称: 麦角新碱
谱图信息: 最多检出来源 Viridiplantae(general) 13.89%

分子结构信息

SMILES: CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI: InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1

描述信息

A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
D012102 - Reproductive Control Agents > D010120 - Oxytocics
CONFIDENCE Claviceps purpurea sclerotia
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.382
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.380
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.373
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.375

同义名列表

3 个代谢物同义名

Ergometrine; Ergonovine; Ergonovine



数据库引用编号

25 个数据库交叉引用编号

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)

14 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。

亚细胞结构定位 关联基因列表
Cytoplasm 7 ALB, AXIN2, CYP3A4, MPI, OPA1, PF4, PIK3C2A
Peripheral membrane protein 1 CYP1B1
Endoplasmic reticulum membrane 2 CYP1B1, CYP3A4
Nucleus 4 ALB, AXIN2, PIK3C2A, PLCZ1
cytosol 6 ALB, AXIN2, MPI, OPA1, PIK3C2A, PLCZ1
dendrite 1 OPA1
mitochondrial membrane 1 OPA1
trans-Golgi network 1 PIK3C2A
centrosome 2 ALB, AXIN2
nucleoplasm 3 OPA1, PIK3C2A, PLCZ1
Cell membrane 4 ADRB3, HTR3A, OXTR, PIK3C2A
Cleavage furrow 1 HTR3A
Multi-pass membrane protein 4 ADRB3, CACNA1I, HTR3A, OXTR
Synapse 2 HTR3A, TAC1
Golgi apparatus 2 ALB, NPY
Golgi membrane 1 INS
mitochondrial inner membrane 1 OPA1
neuronal cell body 1 TAC1
postsynapse 1 HTR3A
plasma membrane 8 ADRB3, AXIN2, CACNA1I, HTR3A, KNG1, OXTR, PIK3C2A, REN
Membrane 8 CACNA1I, CYP1B1, CYP3A4, HTR3A, OPA1, OXTR, PIK3C2A, REN
apical plasma membrane 1 OXTR
axon 1 TAC1
extracellular exosome 4 ALB, KNG1, MPI, PIK3C2A
endoplasmic reticulum 1 ALB
extracellular space 9 ALB, CRP, INS, KNG1, NPY, PF4, PPBP, REN, TAC1
perinuclear region of cytoplasm 1 PLCZ1
adherens junction 1 OXTR
mitochondrion 2 CYP1B1, OPA1
protein-containing complex 1 ALB
intracellular membrane-bounded organelle 3 CYP1B1, CYP3A4, PIK3C2A
Microsome membrane 2 CYP1B1, CYP3A4
pronucleus 1 PLCZ1
Secreted 6 ALB, CRP, INS, NPY, PF4, REN
extracellular region 9 ALB, CRP, INS, KNG1, NPY, PF4, PPBP, REN, TAC1
Single-pass membrane protein 1 OPA1
mitochondrial outer membrane 1 OPA1
anchoring junction 1 ALB
beta-catenin destruction complex 1 AXIN2
nucleolus 1 PLCZ1
axon cytoplasm 1 OPA1
apical part of cell 1 REN
vesicle 1 PIK3C2A
postsynaptic membrane 1 HTR3A
Cytoplasm, perinuclear region 1 PLCZ1
Mitochondrion inner membrane 1 OPA1
microtubule 1 OPA1
GABA-ergic synapse 1 NPY
Mitochondrion intermembrane space 1 OPA1
mitochondrial intermembrane space 1 OPA1
collagen-containing extracellular matrix 2 KNG1, PF4
Postsynaptic cell membrane 1 HTR3A
receptor complex 1 ADRB3
neuron projection 1 HTR3A
ciliary basal body 1 ALB
centriole 1 ALB
mitochondrial crista 1 OPA1
Secreted, extracellular space 1 KNG1
Golgi apparatus, trans-Golgi network 1 PIK3C2A
spindle pole 1 ALB
blood microparticle 2 ALB, KNG1
serotonin-activated cation-selective channel complex 1 HTR3A
transmembrane transporter complex 1 HTR3A
endosome lumen 1 INS
microvillus 1 OXTR
clathrin-coated vesicle 1 PIK3C2A
secretory granule lumen 1 INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 3 ALB, INS, KNG1
platelet alpha granule lumen 4 ALB, KNG1, PF4, PPBP
voltage-gated calcium channel complex 1 CACNA1I
phosphatidylinositol 3-kinase complex 1 PIK3C2A
tertiary granule lumen 1 PPBP
Cytoplasmic vesicle, clathrin-coated vesicle 1 PIK3C2A
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
neuronal dense core vesicle 1 NPY
[Dynamin-like GTPase OPA1, long form]: Mitochondrion inner membrane 1 OPA1
[Dynamin-like GTPase OPA1, short form]: Mitochondrion intermembrane space 1 OPA1
Cytoplasmic vesicle, secretory vesicle, neuronal dense core vesicle 1 NPY
sperm head 1 PLCZ1
ciliary transition fiber 1 ALB


文献列表

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  • Matevž Likar, Marjana Grandič, Breda Jakovac Strajn, Katarina Kos, Franci Aco Celar. Links Between Genetic Groups, Host Specificity, and Ergot-Alkaloid Profiles within Claviceps purpurea (Fr.) Tul. on Slovenian Grasses. Plant disease. 2018 Jul; 102(7):1334-1340. doi: 10.1094/pdis-08-17-1179-re. [PMID: 30673578]
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