Name: Ferrocin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600717
Cas No:114562-40-2
常用名:Ferrocin B
IUPAC:8-(dec-3-enamido)-20,42-bis(hydroxymethyl)-28,32,48-trimethyl-2,5,9,12,15,18,21,38,41,44-decaoxo-17-(propan-2-yl)-6,29lambda3,31lambda3-trioxa-45lambda3,46lambda3-dioxa-47lambda3-oxa-53lambda3-oxa-3,10,13,16,19,22,27,33,37,40,43,49-dodecaaza-30-ferrahexacyclo[21.13.8.6^{11,30}.1^{27,30}.1^{30,33}.1^{30,49}]tripentaconta-28,31,47-triene-30,30,30-tris(ylium)-45,46,53-triide
IUPAC:8-(dec-3-enamido)-20,42-bis(hydroxymethyl)-28,32,48-trimethyl-2,5,9,12,15,18,21,38,41,44-decaoxo-17-(propan-2-yl)-6,29lambda3,31lambda3-trioxa-45lambda3,46lambda3-dioxa-47lambda3-oxa-53lambda3-oxa-3,10,13,16,19,22,27,33,37,40,43,49-dodecaaza-30-ferrahexacyclo[21.13.8.6^{11,30}.1^{27,30}.1^{30,33}.1^{30,49}]tripentaconta-28,31,47-triene-30,30,30-tris(ylium)-45,46,53-triide
InChI key:CCTVUVZJIBDVRM-UHFFFAOYSA-N

分子式:C51H82FeN13O20
分子量:1253.133
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C1(=[O][Fe+3]2345[O]=C(C)N(CCCC6NC(C(COC(=O)CNC(C(CCCN1[O-]2)NC(=O)CNC(C(CO)NC(=O)C(NC(C(NC(=O)C(C(C)C)NC(=O)CNC6=O)CO)=O)CCCN(C(=[O]3)C)[O-]4)=O)=O)NC(CC=CCCCCCC)=O)=O)[O-]5)C
SMILES:C1(=[O][Fe+3]2345[O]=C(C)N(CCCC6NC(C(COC(=O)CNC(C(CCCN1[O-]2)NC(=O)CNC(C(CO)NC(=O)C(NC(C(NC(=O)C(C(C)C)NC(=O)CNC6=O)CO)=O)CCCN(C(=[O]3)C)[O-]4)=O)=O)NC(CC=CCCCCCC)=O)=O)[O-]5)C

Ferrocin B 是一种含铁环状十肽类抗生素，存在于 Pseudomonas fluorescens YK-310 菌株中，具有显著的抗菌活性，主要针对革兰氏阴性菌，对 Pseudomonas aeruginosa 显示出强烈的抑制作用。在小鼠感染模型中，其对 P. aeruginosa 的半数有效剂量 (ED50) 为 0.593 mg/kg。Ferrocin B 可用于抗感染研究。

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