Bacitracin A (BioDeep_00001871392)
Main id: BioDeep_00000002704
代谢物信息卡片
化学式: C66H103N17O16S (1421.7489)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
InChI: InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1
描述信息
A homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin.
C254 - Anti-Infective Agent > C258 - Antibiotic > C295 - Bacitracin
同义名列表
54 个代谢物同义名
Bacitracin A; Bacitracin A; 58H6RWO52I; AI3-50147-X; Ak-Tracin; Albac 50; Altracin; Ayfivin; Baci-Jel; Baci-rx; Baciferm 50; Baciguent; Baciim; Baciliquin; Bacilliquin; Bacitek ointment; Bacitracin [USP:INN:BAN:JAN]; Bacitracin A (Technical Grade); Bacitracin A1; Bacitracin A1; 1-[N-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]-Bacitracin F; 1,4,7,10,13,16,19-Heptaazacyclopentacosane, cyclic peptide deriv.; Bacitracin A2a; NSC 45737; Bacitracin A2a; Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-; Bacitracin powder; Bacitracin, sterile; Bacitracin(non-injectable); Bacitracina; Bacitracina [Spanish]; Bacitracine; Bacitracine [French]; Bacitracinum; Bacitracinum [Latin]; Bactine Triple Antibiotic; Campho-Phenique Triple Plus Pain Reliever; DDA3RRX0P7; Fortracin; L-ASPARAGINE, N-(((4R)-2-((1S,2S)-1-AMINO-2-METHYLBUTYL)-4,5-DIHYDRO-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM; L-ASPARAGINE, N-(((4R)-2-((1S,2S)-1-AMINO-2-METHYLBUTYL)-4,5-DIHYDRO-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-alpha-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-alpha-ASPARTYL-, (10->4)-LACTAM; Mycitracin; Mycitracin Plus Pain Reliever; Mycitracin Triple Antibiotic First Aid Ointment Maximum Strength; N-(((4R)-2-((1S,2S)-1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl)carbonyl)-L-leucyl-D-alpha-glutamyl-N-((3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-((2S)-butan-2-yl)-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl)-L-isoleucinamide; N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide; Parentracin; Penitracin; Septa; Solu-Tracin 50; Spectrocin Plus; Topitracin; Topitrasin; Tropitracin; UNII-58H6RWO52I; UNII-DDA3RRX0P7; USAF CB-7; Zutracin
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:35862
- KEGG: C15482
- PubChem: 10909430
- DrugBank: DB00626
- ChEMBL: CHEMBL1200558
- CAS: 85800-09-5
- CAS: 22601-59-8
- MetaboLights: MTBLC35862
- PubChem: 17396476
- NIKKAJI: J201.471H
- KNApSAcK: 35862
- MeSH: bacitracin A
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。
文献列表
- Wei Hong, Lipeng Liu, Zehui Zhang, Yining Zhao, Dexian Zhang, Mingchun Liu. Insights into the antibacterial mechanism of PEGylated nano-bacitracin A against Streptococcus pneumonia: both penicillin-sensitive and penicillin-resistant strains.
International journal of nanomedicine.
2018; 13(?):6297-6309. doi:
10.2147/ijn.s178596. [PMID: 30349251] - Nicoleta J Economou, Simon Cocklin, Patrick J Loll. High-resolution crystal structure reveals molecular details of target recognition by bacitracin.
Proceedings of the National Academy of Sciences of the United States of America.
2013 Aug; 110(35):14207-12. doi:
10.1073/pnas.1308268110. [PMID: 23940351] - D A Scogin, H I Mosberg, D R Storm, R B Gennis. Binding of nickel and zinc ions to bacitracin A.
Biochemistry.
1980 Jul; 19(14):3348-52. doi:
10.1021/bi00555a038. [PMID: 7407047] - J G ABUELO, Z OVARY. DINITROPHENYLATED BACITRACIN A AS AN ANTIGEN IN THE GUINEA PIG.
Journal of immunology (Baltimore, Md. : 1950).
1965 Jul; 95(?):113-7. doi:
NULL. [PMID: 14322569]
