Np_determination
Pasted from project.commons-private.laure-weisskopf.np_determination (Private) for sharing purposes. Time stamp screenshot
Eliane indicated that they are working n the structural determnination of a potentially novel NP form Streptomyces coelicolor.
Salut Pierre-Marie
Les analyses Masses sont sur le serveur : V:\Biol_Vegetale\Eliane
Le nom de la bactérie la plus proche est
Streptomyces coelicolor
J’espère que ce n’est pas des sphyngolipids
Merci pour ton aide Eliane
MW 812 C42H68O15 MW 826 C43H70O15
Ce que je peux voir tres claire par la RMN c’est
• Proton : 70 • Carbon : 43 ou 42 (1 CO, 1COO, 3 quaternary, 20 CH, 5 CH2, 11 CH3) • Oxygen : 10 (including 1 CO, 2 for ester COO)
ekg We try to launch a SPARQL query https://w.wiki/3$J7
However it returns a timeout error.
This ones looks better https://w.wiki/3$Jy
http://www.wikidata.org/entity/Q105280358 http://www.wikidata.org/entity/Q105168596 http://www.wikidata.org/entity/Q105168602
wd:Q105280358 avermectin C₄₄H₆₆O₁₄ wd:Q2355919 Streptomyces coelicolor
C43H64O14
Could be a derivative of avermectin Lets try a proton NMR prediction
O=C1OC2CC(OC3(OCC(C)CC3)C2)CC=C(C)C(OC4OC(C)C(OC5OC(C)C(O)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC1C67O)C)C
O=C1OC2CC(OC3(OCC(C)CC3)C2)CC=C(C)C(OC4OC(C)C(OC5OC(C)C(O)C(OC)C5)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC1C67O)C)C
According to the MS I would head more for a molecular ion at 805
C45H72O12 Olygomycin simulation
41-demethylhomooligomycin B
CC[C@@H](CC[C@H]([C@H](C)[C@@H]([C@H]1C)OC(/C=C/[C@@H](C)[C@@H]([C@@H](C)C([C@@H](C)[C@@H]([C@@H](C)C([C@@]2(C)O)=O)O)=O)O)=O)O[C@]11O[C@H](C[C@H](C)O)[C@H](C)CC1=O)/C=C/C=C/C[C@H](C)[C@H]2O