Clorobiocin (BioDeep_00000009049)

Volatile Flavor Compounds natural product

代谢物信息卡片

Chlorobiocin

化学式: C35H37ClN2O11 (696.2085762)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 91.35%

分子结构信息

SMILES: CC(=CCc1cc(ccc1O)C(=O)Nc1c(c2ccc(c(c2oc1=O)Cl)O[C@H]1[C@@H]([C@@H]([C@H](C(C)(C)O1)OC)OC(=O)c1ccc(C)[nH]1)O)O)C
InChI: InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1

描述信息

同义名列表

3 个代谢物同义名

Clorobiocin; Chlorobiocin; Clorobiocin

数据库引用编号

16 个数据库交叉引用编号

KEGG: C12032
PubChem: 54706138
PubChem: 54677920
Metlin: METLIN64587
DrugBank: DB03966
ChEMBL: CHEMBL303984
KNApSAcK: C00017954
CAS: 39868-96-7
PMhub: MS000022786
PubChem: 14187
PDB-CCD: CBN
NIKKAJI: J53.913I
RefMet: Clorobiocin
LOTUS: LTS0243536
LOTUS: LTS0164879
LOTUS: LTS0133377

分类词条

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)

39 个相关的物种来源信息

2 - Bacteria: LTS0133377
2 - Bacteria: LTS0164879
2 - Bacteria: LTS0243536
1883 - Streptomyces: 10.1002/BIP.21493
1883 - Streptomyces: 10.1002/CHIN.197249433
1883 - Streptomyces: 10.1007/S10295-013-1348-5
1883 - Streptomyces: 10.1016/S1074-5521(03)00051-6
1883 - Streptomyces: 10.1099/00221287-148-10-3317
1883 - Streptomyces: LTS0133377
1883 - Streptomyces: LTS0164879
1883 - Streptomyces: LTS0243536
1886 - Streptomyces albidoflavus: 10.1002/BIP.21493
1886 - Streptomyces albidoflavus: 10.1002/CHIN.197249433
1886 - Streptomyces albidoflavus: 10.1007/S10295-013-1348-5
1886 - Streptomyces albidoflavus: 10.1016/S1074-5521(03)00051-6
1886 - Streptomyces albidoflavus: 10.1099/00221287-148-10-3317
1886 - Streptomyces albidoflavus: LTS0164879
1902 - Streptomyces coelicolor: 10.1002/BIP.21493
1902 - Streptomyces coelicolor: 10.1007/S10295-013-1348-5
1902 - Streptomyces coelicolor: 10.1016/S1074-5521(03)00051-6
1902 - Streptomyces coelicolor: 10.1099/00221287-148-10-3317
1902 - Streptomyces coelicolor: LTS0164879
1912 - Streptomyces hygroscopicus: 10.1002/BIP.21493
1912 - Streptomyces hygroscopicus: 10.1002/CHIN.197249433
1912 - Streptomyces hygroscopicus: 10.1007/S10295-013-1348-5
1912 - Streptomyces hygroscopicus: 10.1016/S1074-5521(03)00051-6
1912 - Streptomyces hygroscopicus: 10.1099/00221287-148-10-3317
1912 - Streptomyces hygroscopicus: LTS0133377
1912 - Streptomyces hygroscopicus: LTS0164879
1912 - Streptomyces hygroscopicus: LTS0243536
285450 - Streptomyces roseochromogenus: LTS0164879
149682 - Streptomyces roseochromogenus subsp. oscitans: LTS0164879
1352936 - Streptomyces roseochromogenus subsp. oscitans: 10.1002/BIP.21493
1352936 - Streptomyces roseochromogenus subsp. oscitans: 10.1007/S10295-013-1348-5
1352936 - Streptomyces roseochromogenus subsp. oscitans: 10.1016/S1074-5521(03)00051-6
1352936 - Streptomyces roseochromogenus subsp. oscitans: 10.1099/00221287-148-10-3317
2062 - Streptomycetaceae: LTS0133377
2062 - Streptomycetaceae: LTS0164879
2062 - Streptomycetaceae: LTS0243536

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

Yu-Ming M Huang, Jason Munguia, Yinglong Miao, Victor Nizet, J Andrew McCammon. Docking simulation and antibiotic discovery targeting the MlaC protein in Gram-negative bacteria. Chemical biology & drug design. 2019 04; 93(4):647-652. doi: 10.1111/cbdd.13462. [PMID: 30570806]
C J Coulson, V J Smith. Coumarin antibiotic binding to human albumin. Biochemical pharmacology. 1981 Mar; 30(5):447-52. doi: 10.1016/0006-2952(81)90629-8. [PMID: 7225143]
C J Coulson, V J Smith. Correlation of hydrophobicity with protein binding for clorobiocin analogs. Journal of pharmaceutical sciences. 1980 Jul; 69(7):799-801. doi: 10.1002/jps.2600690714. [PMID: 7391943]