CHEBI:148755 - CID 91849563

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CID 91849563
ChEBI ID CHEBI:148755
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C125H209N7O90
Net Charge 0
Average Mass 3250.006
Monoisotopic Mass 3248.19927
InChI InChI=1S/C125H209N7O90/c1-28-61(154)75(168)84(177)113(193-28)189-24-42(153)94(65(158)39(13-133)126-32(5)144)209-109-56(128-34(7)146)73(166)96(47(19-139)201-109)212-121-93(186)105(72(165)53(206-121)26-191-122-106(220-112-60(132-38(11)150)104(218-116-87(180)78(171)64(157)31(4)196-116)100(51(23-143)204-112)215-119-90(183)81(174)69(162)45(17-137)199-119)83(176)71(164)52(208-122)25-190-108-58(130-36(9)148)102(216-114-85(178)76(169)62(155)29(2)194-114)98(49(21-141)200-108)213-117-88(181)79(172)67(160)43(15-135)197-117)219-123-107(92(185)97(48(20-140)205-123)210-111-59(131-37(10)149)103(217-115-86(179)77(170)63(156)30(3)195-115)99(50(22-142)203-111)214-118-89(182)80(173)68(161)44(16-136)198-118)221-110-57(129-35(8)147)74(167)95(46(18-138)202-110)211-120-91(184)82(175)70(163)54(207-120)27-192-125(124(187)188)12-40(151)55(127-33(6)145)101(222-125)66(159)41(152)14-134/h28-31,39-123,133-143,151-186H,12-27H2,1-11H3,(H,126,144)(H,127,145)(H,128,146)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,187,188)/t28-,29-,30-,31-,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-,87-,88+,89+,90+,91+,92-,93-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105-,106-,107-,108+,109-,110-,111-,112-,113+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,125+/m0/s1
InChIKey GUIMMQASAMZCRB-NIEDTPFXSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1CO)O[C@H]5[C@H](O)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]5O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)[C@H]9NC(=O)C)CO)CO[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO)[C@H](O[C@@H]%14O[C@H]([C@@H](O)[C@@H](O)[C@@H]%14O)C)[C@H]%12NC(=O)C)CO)[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O)CO)[C@H](O[C@@H]%17O[C@H]([C@@H](O)[C@@H](O)[C@@H]%17O)C)[C@H]%15NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91849563 (CHEBI:148755) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=2.0/7,18,17/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-7-5-4-2-7-5-2-7-5-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_k2-l1_k6-o1_l3-m1_l4-n1_o3-p1_o4-q1 SUBMITTER
Manual Xrefs Databases
G26713RV GlyTouCan
G26713RV GlyGen
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