public_id

FDB022163

IUPAC 名称

(2S,3S,4S,5R,6R)-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4R,5R,6R)-2-carboxy-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4R,5R,6R)-2-carboxy-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4R,5R,6R)-2-carboxy-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-2-hydroxy-6-(hydroxymethyl)-3-[(1-oxidoethylidene)amino]-5-(sulfooxy)oxan-4-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)-3-[(1-oxidoethylidene)amino]-5-(sulfooxy)oxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)-3-[(1-oxidoethylidene)amino]-5-(sulfooxy)oxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)-3-[(1-oxidoethylidene)amino]-5-(sulfooxy)oxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)-3-[(1-oxidoethylidene)amino]-5-(sulfooxy)oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate

描述

Chondroitin 4-sulfate is a derivative of chondroitin which has a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate. An example structure is given, and this Chondroiton sulfate is a polymer that can contain up to 100 individual sugars. [HMDB]

CAS号

异构

[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(OS([O-])(=O)=O)[C@]([H])(O[C@]2([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(OS([O-])(=O)=O)[C@]([H])(O[C@]4([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@]([H])(OS([O-])(=O)=O)[C@]([H])(O[C@]6([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[C@]7([H])O[C@]([H])(CO)[C@]([H])(OS([O-])(=O)=O)[C@]([H])(O[C@]8([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[C@]9([H])O[C@]([H])(CO)[C@]([H])(OS([O-])(=O)=O)[C@]([H])(O[C@]%10([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O)[C@]([H])(O)[C@@]%10([H])O)[C@@]9([H])NC(C)=O)[C@]([H])(O)[C@@]8([H])O)[C@@]7([H])NC(C)=O)[C@]([H])(O)[C@@]6([H])O)[C@@]5([H])NC(C)=O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])NC(C)=O)[C@]([H])(O)[C@@]2([H])O)[C@@]1([H])NC(C)=O

InChI标识符

InChI=1S/C70H107N5O71S5/c1-11(81)71-21-42(37(142-147(108,109)110)16(6-76)123-61(21)107)128-67-33(93)28(88)47(52(138-67)57(99)100)133-63-23(73-13(3)83)44(39(18(8-78)125-63)144-149(114,115)116)130-69-35(95)30(90)49(54(140-69)59(103)104)135-65-25(75-15(5)85)46(41(20(10-80)127-65)146-151(120,121)122)132-70-36(96)31(91)50(55(141-70)60(105)106)136-64-24(74-14(4)84)45(40(19(9-79)126-64)145-150(117,118)119)131-68-34(94)29(89)48(53(139-68)58(101)102)134-62-22(72-12(2)82)43(38(17(7-77)124-62)143-148(111,112)113)129-66-32(92)26(86)27(87)51(137-66)56(97)98/h16-55,61-70,76-80,86-96,107H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)/p-10/t16-,17-,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+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-/m1/s1

键

PNOCSDIJELBTOO-BHQNPOKRSA-D

平均分子量

2303.273689741

id

22326

含有化合物的食物

食物id	食物名称
430	Ostrich
353	Mule deer
595	Mountain hare
358	Mallard duck
383	Horse
378	Guinea hen
373	Greylag goose
451	European rabbit
365	Emu
364	Elk
549	Domestic pig
541	Domestic goat
535	Deer
624	Columbidae (Dove, Pigeon)
334	Chicken
506	Cattle (Beef, Veal)
316	Buffalo
303	Bison
542	Beefalo
590	Anatidae