Melengestrol acetate (BioDeep_00000010047)

   


代谢物信息卡片


17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate

化学式: C25H32O4 (396.23)
中文名称: 甲醇中醋酸美仑孕酮溶液
谱图信息: 最多检出来源 Viridiplantae(plant) 67.28%

分子结构信息

SMILES: C=C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(OC(C)=O)C(C)=O
InChI: InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1

描述信息

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Same as: D04900
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9713; ORIGINAL_PRECURSOR_SCAN_NO 9708
DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 9713; ORIGINAL_PRECURSOR_SCAN_NO 9708
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9743; ORIGINAL_PRECURSOR_SCAN_NO 9739
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9761; ORIGINAL_PRECURSOR_SCAN_NO 9757
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9788; ORIGINAL_PRECURSOR_SCAN_NO 9784
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9754; ORIGINAL_PRECURSOR_SCAN_NO 9750
CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9789; ORIGINAL_PRECURSOR_SCAN_NO 9786

同义名列表

5 个代谢物同义名

17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate; 17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione; Melengestrol acetate; MGA, veterinary; Melengestrol acetate



数据库引用编号

19 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)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 6 ADIG, AR, ESR1, PGR, PPARG, PRKX
Peripheral membrane protein 2 CYP11A1, ESR1
Endoplasmic reticulum membrane 1 PGRMC1
Mitochondrion membrane 1 CYP11A1
Nucleus 9 ADIG, AR, CTBP2, ESR1, MGA, MYOG, PGR, PPARG, PRKX
cytosol 5 AR, ESR1, PGR, PPARG, PRKCQ
nucleoplasm 7 AR, ESR1, MGA, MYOG, PGR, PPARG, PRKX
RNA polymerase II transcription regulator complex 1 PPARG
Cell membrane 2 ESR1, GABRA6
Cytoplasmic side 1 ESR1
Multi-pass membrane protein 1 GABRA6
Synapse 3 CTBP2, GABRA6, PGRMC1
Golgi apparatus 1 ESR1
Golgi membrane 1 INS
mitochondrial inner membrane 1 CYP11A1
neuronal cell body 1 PGRMC1
postsynapse 1 GABRA6
Lysosome 1 SGSH
plasma membrane 8 AR, ESR1, GABRA6, MGA, PGR, PGRMC1, PRKCQ, SERPINC1
Membrane 6 ADIG, AR, CYP11A1, ESR1, GABRA6, PGRMC1
apical plasma membrane 1 MGA
extracellular exosome 4 HP, MGA, SERPINC1, SGSH
endoplasmic reticulum 1 PGRMC1
extracellular space 6 GH1, GNRH1, HP, IGF1, INS, SERPINC1
lysosomal lumen 1 SGSH
perinuclear region of cytoplasm 1 PPARG
mitochondrion 1 CYP11A1
protein-containing complex 2 AR, ESR1
intracellular membrane-bounded organelle 1 PPARG
Microsome membrane 1 PGRMC1
Secreted 6 ADIG, GH1, HP, IGF1, INS, PGRMC1
extracellular region 8 ADIG, GH1, GNRH1, HP, IGF1, INS, PGRMC1, SERPINC1
Mitochondrion outer membrane 1 PGRMC1
Single-pass membrane protein 2 ADIG, PGRMC1
mitochondrial outer membrane 2 PGR, PGRMC1
mitochondrial matrix 1 CYP11A1
Extracellular side 1 PGRMC1
transcription regulator complex 2 ESR1, MYOG
centriolar satellite 1 PRKCQ
postsynaptic membrane 1 GABRA6
Mitochondrion inner membrane 1 CYP11A1
collagen-containing extracellular matrix 1 SERPINC1
nuclear speck 1 AR
Postsynaptic cell membrane 1 GABRA6
receptor complex 1 PPARG
neuron projection 2 GABRA6, PGRMC1
chromatin 6 AR, ESR1, MGA, MYOG, PGR, PPARG
Secreted, extracellular space 1 SERPINC1
blood microparticle 2 HP, SERPINC1
transmembrane transporter complex 1 GABRA6
Endomembrane system 1 PGRMC1
endosome lumen 2 GH1, INS
Lipid droplet 1 ADIG
chloride channel complex 1 GABRA6
GABA-A receptor complex 1 GABRA6
specific granule membrane 1 PGRMC1
tertiary granule membrane 1 MGA
euchromatin 1 ESR1
Smooth endoplasmic reticulum membrane 1 PGRMC1
cell body 1 PGRMC1
exocytic vesicle 1 IGF1
secretory granule lumen 1 INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 2 INS, SERPINC1
MLL1 complex 1 MGA
transcription repressor complex 1 CTBP2
platelet alpha granule lumen 1 IGF1
specific granule lumen 1 HP
tertiary granule lumen 1 HP
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
immunological synapse 1 PRKCQ
aggresome 1 PRKCQ
[Isoform 1]: Nucleus 1 ESR1
protein-DNA complex 1 MYOG
ficolin-1-rich granule membrane 1 MGA
postsynaptic specialization membrane 1 GABRA6
dendrite membrane 1 GABRA6
endocytic vesicle lumen 1 HP
haptoglobin-hemoglobin complex 1 HP
growth hormone receptor complex 1 GH1
alphav-beta3 integrin-IGF-1-IGF1R complex 1 IGF1
insulin-like growth factor binding protein complex 1 IGF1
insulin-like growth factor ternary complex 1 IGF1
[Isoform 4]: Mitochondrion outer membrane 1 PGR
cerebellar Golgi cell to granule cell synapse 1 GABRA6


文献列表

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  • Ai Tsukada, Hiroshi Suemizu, Norie Murayama, Ryohji Takano, Makiko Shimizu, Masato Nakamura, Hiroshi Yamazaki. Plasma concentrations of melengestrol acetate in humans extrapolated from the pharmacokinetics established in in vivo experiments with rats and chimeric mice with humanized liver and physiologically based pharmacokinetic modeling. Regulatory toxicology and pharmacology : RTP. 2013 Apr; 65(3):316-24. doi: 10.1016/j.yrtph.2013.01.008. [PMID: 23395687]
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