2-Palmitoyl-3-phthioceranoyl-6,6-bis(hydroxyphthioceranoyl) trehalose-2-sulfate (BioDeep_00001043366)

   


代谢物信息卡片


2-Palmitoyl-3-phthioceranoyl-6,6-bis(hydroxyphthioceranoyl) trehalose-2-sulfate

化学式: C148H286O20S (2416.1082076)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O)O)O)OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O)O
InChI: InChI=1S/C148H286O20S/c1-29-33-37-41-45-49-53-57-61-62-66-70-74-78-82-109(5)86-110(6)87-111(7)88-112(8)89-115(11)94-120(16)100-126(22)105-131(27)145(156)162-108-136-139(153)141(166-146(157)132(28)106-127(23)101-122(18)96-117(13)91-114(10)93-119(15)98-124(20)103-129(25)134(150)84-80-76-72-68-64-59-55-51-47-43-39-35-31-3)143(165-137(151)85-81-77-73-69-65-60-56-52-48-44-40-36-32-4)148(164-136)167-147-142(168-169(158,159)160)140(154)138(152)135(163-147)107-161-144(155)130(26)104-125(21)99-121(17)95-116(12)90-113(9)92-118(14)97-123(19)102-128(24)133(149)83-79-75-71-67-63-58-54-50-46-42-38-34-30-2/h109-136,138-143,147-150,152-154H,29-108H2,1-28H3,(H,158,159,160)/t109-,110-,111-,112-,113+,114+,115-,116-,117-,118+,119+,120-,121-,122-,123+,124+,125-,126-,127-,128+,129+,130-,131-,132-,133+,134+,135+,136+,138+,139+,140-,141-,142+,143+,147+,148+/m0/s1

描述信息

同义名列表

1 个代谢物同义名

2-Palmitoyl-3-phthioceranoyl-6,6-bis(hydroxyphthioceranoyl) trehalose-2-sulfate



数据库引用编号

2 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。



文献列表

  • Cody R Ruhl, Breanna L Pasko, Haaris S Khan, Lexy M Kindt, Chelsea E Stamm, Luis H Franco, Connie C Hsia, Min Zhou, Colton R Davis, Tian Qin, Laurent Gautron, Michael D Burton, Galo L Mejia, Dhananjay K Naik, Gregory Dussor, Theodore J Price, Michael U Shiloh. Mycobacterium tuberculosis Sulfolipid-1 Activates Nociceptive Neurons and Induces Cough. Cell. 2020 04; 181(2):293-305.e11. doi: 10.1016/j.cell.2020.02.026. [PMID: 32142653]
  • Fong-Fu Hsu. Characterization of Hydroxyphthioceranoic and Phthioceranoic Acids by Charge-Switch Derivatization and CID Tandem Mass Spectrometry. Journal of the American Society for Mass Spectrometry. 2016 Apr; 27(4):622-32. doi: 10.1007/s13361-015-1328-2. [PMID: 26729458]
  • Rebeca Bailo, Apoorva Bhatt, José A Aínsa. Lipid transport in Mycobacterium tuberculosis and its implications in virulence and drug development. Biochemical pharmacology. 2015 Aug; 96(3):159-67. doi: 10.1016/j.bcp.2015.05.001. [PMID: 25986884]
  • Jessica C Seeliger, Cynthia M Holsclaw, Michael W Schelle, Zsofia Botyanszki, Sarah A Gilmore, Sarah E Tully, Michael Niederweis, Benjamin F Cravatt, Julie A Leary, Carolyn R Bertozzi. Elucidation and chemical modulation of sulfolipid-1 biosynthesis in Mycobacterium tuberculosis. The Journal of biological chemistry. 2012 Mar; 287(11):7990-8000. doi: 10.1074/jbc.m111.315473. [PMID: 22194604]
  • Clifton D Leigh, Carolyn R Bertozzi. Synthetic studies toward Mycobacterium tuberculosis sulfolipid-I. The Journal of organic chemistry. 2008 Feb; 73(3):1008-17. doi: 10.1021/jo702032c. [PMID: 18173284]
  • Pawan Kumar, Michael W Schelle, Madhulika Jain, Fiona L Lin, Christopher J Petzold, Michael D Leavell, Julie A Leary, Jeffery S Cox, Carolyn R Bertozzi. PapA1 and PapA2 are acyltransferases essential for the biosynthesis of the Mycobacterium tuberculosis virulence factor sulfolipid-1. Proceedings of the National Academy of Sciences of the United States of America. 2007 Jul; 104(27):11221-6. doi: 10.1073/pnas.0611649104. [PMID: 17592143]
  • Yuko Okamoto, Yukiko Fujita, Takashi Naka, Manabu Hirai, Ikuko Tomiyasu, Ikuya Yano. Mycobacterial sulfolipid shows a virulence by inhibiting cord factor induced granuloma formation and TNF-alpha release. Microbial pathogenesis. 2006 Jun; 40(6):245-53. doi: 10.1016/j.micpath.2006.02.002. [PMID: 16626929]
  • Madhulika Jain, Jeffery S Cox. Interaction between polyketide synthase and transporter suggests coupled synthesis and export of virulence lipid in M. tuberculosis. PLoS pathogens. 2005 Sep; 1(1):e2. doi: 10.1371/journal.ppat.0010002. [PMID: 16201014]
  • Scott E Converse, Joseph D Mougous, Michael D Leavell, Julie A Leary, Carolyn R Bertozzi, Jeffery S Cox. MmpL8 is required for sulfolipid-1 biosynthesis and Mycobacterium tuberculosis virulence. Proceedings of the National Academy of Sciences of the United States of America. 2003 May; 100(10):6121-6. doi: 10.1073/pnas.1030024100. [PMID: 12724526]
  • O Rojas-Espinosa, R Arenas, P Arce-Parades, G Miranda-Contreras. Antibodies to diverse lipids in the serum of patients with clinically cured leprosy and tuberculosis. Acta leprologica. 2003; 12(3):112-6. doi: NULL. [PMID: 15040701]
  • L Zhang, D English, B R Andersen. Activation of human neutrophils by Mycobacterium tuberculosis-derived sulfolipid-1. Journal of immunology (Baltimore, Md. : 1950). 1991 Apr; 146(8):2730-6. doi: ". [PMID: 1849937]
  • . . . . doi: . [PMID: 19276083]