N-[5-amino-1-[[1-[[(6Z)-9-benzyl-15-butan-2-yl-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[2-[[2-[[3-hydroxy-2-[[3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide (BioDeep_00000912219)

代谢物信息卡片

N-[5-amino-1-[[1-[[(6Z)-9-benzyl-15-butan-2-yl-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[2-[[2-[[3-hydroxy-2-[[3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide

化学式: C75H124N14O16 (1476.9319264)
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(=CC)C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C
InChI: InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-

描述信息

同义名列表

1 个代谢物同义名

数据库引用编号

1 个数据库交叉引用编号

PubChem: 5899651

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)

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

Silvia Maglioni, Nayna Arsalan, Anna Hamacher, Shiwa Afshar, Alfonso Schiavi, Mathias Beller, Natascia Ventura. High-Content C. elegans Screen Identifies Natural Compounds Impacting Mitochondria-Lipid Homeostasis and Promoting Healthspan. Cells. 2021 12; 11(1):. doi: 10.3390/cells11010100. [PMID: 35011662]
Bernardo Miguel-Lillo, Belén Valenzuela, José Esteban Peris-Ribera, Arturo Soto-Matos, Juan José Pérez-Ruixo. Population pharmacokinetics of kahalalide F in advanced cancer patients. Cancer chemotherapy and pharmacology. 2015 Aug; 76(2):365-74. doi: 10.1007/s00280-015-2800-1. [PMID: 26093949]
Luis J Cruz, Juan R Luque-Ortega, Luis Rivas, Fernando Albericio. Kahalalide F, an antitumor depsipeptide in clinical trials, and its analogues as effective antileishmanial agents. Molecular pharmaceutics. 2009 May; 6(3):813-24. doi: 10.1021/mp8001039. [PMID: 19317431]
E Stokvis, H Rosing, L López-Lázaro, J H M Schellens, J H Beijnen. Switching from an analogous to a stable isotopically labeled internal standard for the LC-MS/MS quantitation of the novel anticancer drug Kahalalide F significantly improves assay performance. Biomedical chromatography : BMC. 2004 Jul; 18(6):400-2. doi: 10.1002/bmc.392. [PMID: 15273981]
Yajaira Suárez, Laura González, Ana Cuadrado, Maite Berciano, Miguel Lafarga, Alberto Muñoz. Kahalalide F, a new marine-derived compound, induces oncosis in human prostate and breast cancer cells. Molecular cancer therapeutics. 2003 Sep; 2(9):863-72. doi: . [PMID: 14555705]
Alan P Brown, Robert L Morrissey, Glynn T Faircloth, Barry S Levine. Preclinical toxicity studies of kahalalide F, a new anticancer agent: single and multiple dosing regimens in the rat. Cancer chemotherapy and pharmacology. 2002 Oct; 50(4):333-40. doi: 10.1007/s00280-002-0499-2. [PMID: 12357309]
E Stokvis, H Rosing, L López-Lázaro, I Rodriguez, J M Jimeno, J G Supko, J H M Schellens, J H Beijnen. Quantitative analysis of the novel depsipeptide anticancer drug Kahalalide F in human plasma by high-performance liquid chromatography under basic conditions coupled to electrospray ionization tandem mass spectrometry. Journal of mass spectrometry : JMS. 2002 Sep; 37(9):992-1000. doi: 10.1002/jms.362. [PMID: 12271442]
R W Sparidans, E Stokvis, J M Jimeno, L López-Lázaro, J H Schellens, J H Beijnen. Chemical and enzymatic stability of a cyclic depsipeptide, the novel, marine-derived, anti-cancer agent kahalalide F. Anti-cancer drugs. 2001 Aug; 12(7):575-82. doi: 10.1097/00001813-200108000-00003. [PMID: 11487713]
M García-Rocha, P Bonay, J Avila. The antitumoral compound Kahalalide F acts on cell lysosomes. Cancer letters. 1996 Jan; 99(1):43-50. doi: 10.1016/0304-3835(95)04036-6. [PMID: 8564928]