IUPAC 名称
(3R)-3-hydroxy-N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-3-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-5-(phosphonatooxy)oxan-2-yl]oxy}methyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-2-(phosphonooxy)oxan-3-yl]tetradecanecarboximidate
描述
(2-n,3-o-bis(3-hydroxytetradecanoyl)-4-o-phosphono-beta-d-glucosaminyl)-(1->6)-(2-n,3-o-bis(3-hydroxytetradecanoyl)-beta-d-glucosaminyl phosphate), also known as lipid iva (e. coli), is a member of the class of compounds known as acylaminosugars. Acylaminosugars are organic compounds containing a sugar linked to a chain through N-acyl group (2-n,3-o-bis(3-hydroxytetradecanoyl)-4-o-phosphono-beta-d-glucosaminyl)-(1->6)-(2-n,3-o-bis(3-hydroxytetradecanoyl)-beta-d-glucosaminyl phosphate) is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). (2-n,3-o-bis(3-hydroxytetradecanoyl)-4-o-phosphono-beta-d-glucosaminyl)-(1->6)-(2-n,3-o-bis(3-hydroxytetradecanoyl)-beta-d-glucosaminyl phosphate) can be found in a number of food items such as kohlrabi, sugar apple, common chokecherry, and lovage, which makes (2-n,3-o-bis(3-hydroxytetradecanoyl)-4-o-phosphono-beta-d-glucosaminyl)-(1->6)-(2-n,3-o-bis(3-hydroxytetradecanoyl)-beta-d-glucosaminyl phosphate) a potential biomarker for the consumption of these food products (2-n,3-o-bis(3-hydroxytetradecanoyl)-4-o-phosphono-beta-d-glucosaminyl)-(1->6)-(2-n,3-o-bis(3-hydroxytetradecanoyl)-beta-d-glucosaminyl phosphate) may be a unique E.coli metabolite.
InChI标识符
InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/p-4/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1