CHEBI:155662 - CID 91854655

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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 91854655
ChEBI ID CHEBI:155662
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C109H180N8O80
Net Charge 0
Average Mass 2882.615
Monoisotopic Mass 2881.02627
InChI InChI=1S/C109H180N8O80/c1-27(130)110-35(12-118)60(145)81(42(144)16-122)185-95-57(115-32(6)135)71(156)84(48(22-128)179-95)187-99-78(163)89(190-103-93(75(160)64(149)43(17-123)177-103)192-97-59(117-34(8)137)73(158)85(49(23-129)181-97)189-101-80(165)91(68(153)45(19-125)176-101)197-109(106(170)171)11-38(140)55(113-30(4)133)88(195-109)63(148)41(143)15-121)69(154)51(182-99)25-173-102-92(191-96-58(116-33(7)136)72(157)83(47(21-127)180-96)186-98-77(162)74(159)65(150)52(183-98)26-174-107(104(166)167)9-36(138)53(111-28(2)131)86(193-107)61(146)39(141)13-119)76(161)66(151)50(184-102)24-172-94-56(114-31(5)134)70(155)82(46(20-126)178-94)188-100-79(164)90(67(152)44(18-124)175-100)196-108(105(168)169)10-37(139)54(112-29(3)132)87(194-108)62(147)40(142)14-120/h35-103,118-129,138-165H,9-26H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,166,167)(H,168,169)(H,170,171)/t35-,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+,107+,108-,109-/m0/s1
InChIKey GNUISBQLNMVQPK-MQBXMYRZSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]4NC(=O)C)CO)CO[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=O)C)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91854655 (CHEBI:155662) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=2.0/6,14,13/[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]/1-2-3-4-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j6-k2_l4-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G96439CH GlyTouCan
G96439CH GlyGen
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