public_id

FDB030889

IUPAC 名称

N-[(3R,4R,6R)-2-{[(4R,5R)-5-(carboxyamino)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-({[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxyoxan-2-yl]oxy}methyl)-4-{[(2R,4S,5S,6R)-3-{[(2R,5S,6R)-3-{[(2R,5R,6R)-4-{[(2R,3R,4S,5R,6R)-4-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

描述

Glc3man9glcnac2 is a member of the class of compounds known as polysaccharides. Polysaccharides are compounds containing more than ten saccharide units. Glc3man9glcnac2 is soluble (in water) and a weakly acidic compound (based on its pKa). Glc3man9glcnac2 can be found in a number of food items such as kohlrabi, mentha (mint), common hazelnut, and cardoon, which makes glc3man9glcnac2 a potential biomarker for the consumption of these food products.

CAS号

异构

[H]C1(O)OC([H])(CO)C([H])(OC2([H])O[C@]([H])(CO)C([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)C4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)C([H])(O)C4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)C([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]7([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@]6([H])O)[C@@]5([H])O)C4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])NC(O)=O

InChI标识符

InChI=1S/C87H146N2O72/c1-16(102)88-32-46(116)63(28(13-101)148-74(32)151-62-27(12-100)137-73(132)31(45(62)115)89-87(133)134)152-82-61(131)68(44(114)30(150-82)14-135-75-57(127)67(156-84-70(51(121)37(107)21(6-94)145-84)159-78-56(126)49(119)35(105)19(4-92)140-78)43(113)29(149-75)15-136-83-69(50(120)36(106)20(5-93)144-83)158-77-55(125)48(118)34(104)18(3-91)139-77)157-85-72(53(123)39(109)22(7-95)146-85)161-86-71(52(122)38(108)23(8-96)147-86)160-81-60(130)66(42(112)26(11-99)143-81)155-80-59(129)65(41(111)25(10-98)142-80)154-79-58(128)64(40(110)24(9-97)141-79)153-76-54(124)47(117)33(103)17(2-90)138-76/h17-86,89-101,103-132H,2-15H2,1H3,(H,88,102)(H,133,134)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27?,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52?,53+,54-,55+,56+,57+,58-,59-,60?,61+,62?,63?,64+,65+,66?,67+,68+,69+,70+,71?,72?,73?,74?,75+,76-,77-,78-,79-,80-,81-,82+,83+,84-,85-,86-/m1/s1

键

BWOCSLIXPIONPQ-YFSWHRNGSA-N

平均分子量

2370.782455349

id

31052

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone