CHEBI:152648 - CID 91857202

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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 91857202
ChEBI ID CHEBI:152648
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C116H195N7O85
Net Charge 0
Average Mass 3047.800
Monoisotopic Mass 3046.11514
InChI InChI=1S/C116H195N7O85/c1-26-57(147)74(164)79(169)107(179-26)177-24-35(146)87(58(148)34(9-124)117-27(2)139)195-101-51(118-28(3)140)68(158)93(45(19-134)188-101)201-114-86(176)98(67(157)50(194-114)25-178-115-99(77(167)61(151)38(12-127)186-115)207-105-55(122-32(7)144)72(162)91(48(22-137)192-105)200-113-85(175)97(66(156)43(17-132)185-113)205-109-81(171)76(166)60(150)37(11-126)181-109)206-116-100(78(168)62(152)39(13-128)187-116)208-106-56(123-33(8)145)73(163)92(49(23-138)193-106)199-112-84(174)96(65(155)42(16-131)184-112)204-104-54(121-31(6)143)71(161)90(47(21-136)191-104)198-111-83(173)95(64(154)41(15-130)183-111)203-103-53(120-30(5)142)70(160)89(46(20-135)190-103)197-110-82(172)94(63(153)40(14-129)182-110)202-102-52(119-29(4)141)69(159)88(44(18-133)189-102)196-108-80(170)75(165)59(149)36(10-125)180-108/h26,34-116,124-138,146-176H,9-25H2,1-8H3,(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)(H,123,145)/t26-,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-,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+/m0/s1
InChIKey GGCCGPAEGPECJO-NVAVTZCPSA-N
SMILES O([C@@H]1[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]2O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]1O)CO)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O[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]%15NC(=O)C)CO)[C@H]%14O)CO)[C@H](O)[C@@H]%13NC(=O)C)CO)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91857202 (CHEBI:152648) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonym Source
WURCS=2.0/6,17,16/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-2-5-2-5-4-2-5-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-m1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_j3-k1_k4-l1_m2-n1_n4-o1_o3-p1 SUBMITTER
Manual Xrefs Databases
G63308HG GlyGen
G63308HG GlyTouCan
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