CHEBI:155611 - CID 91854977

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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 91854977
ChEBI ID CHEBI:155611
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C115H188N8O84
Net Charge 0
Average Mass 3026.741
Monoisotopic Mass 3025.06853
InChI InChI=1S/C115H188N8O84/c1-27-61(148)75(162)79(166)103(183-27)179-24-52-90(70(157)56(98(172)184-52)119-31(5)137)196-100-58(121-33(7)139)72(159)87(46(20-131)188-100)199-106-83(170)94(201-109-96(78(165)65(152)42(16-127)186-109)202-101-59(122-34(8)140)73(160)86(45(19-130)189-101)198-105-81(168)77(164)67(154)51(194-105)26-182-114(111(175)176)11-37(143)54(117-29(3)135)92(205-114)63(150)40(146)14-125)69(156)49(192-106)23-180-108-97(203-102-60(123-35(9)141)74(161)88(47(21-132)190-102)200-107-84(171)95(68(155)43(17-128)185-107)207-115(112(177)178)12-38(144)55(118-30(4)136)93(206-115)64(151)41(147)15-126)82(169)89(48(22-133)191-108)195-99-57(120-32(6)138)71(158)85(44(18-129)187-99)197-104-80(167)76(163)66(153)50(193-104)25-181-113(110(173)174)10-36(142)53(116-28(2)134)91(204-113)62(149)39(145)13-124/h27,36-109,124-133,142-172H,10-26H2,1-9H3,(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)(H,173,174)(H,175,176)(H,177,178)/t27-,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+,113+,114+,115-/m0/s1
InChIKey IMOJDIYZZIGSON-KSYUSYIOSA-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]1OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)O)[C@@H](O)[C@@H](O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@@H]%10NC(=O)C)CO)CO)[C@@H]5O)CO)[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O[C@]%15(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%15)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91854977 (CHEBI:155611) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/6,15,14/[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]/1-1-2-3-1-4-5-3-1-4-5-1-4-5-6/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h4-l1_i4-j1_j3-k2_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G96235XM GlyTouCan
G96235XM GlyGen
View more database links