CHEBI:155035 - CID 71297876

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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 71297876
ChEBI ID CHEBI:155035
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C115H188N8O84
Net Charge 0
Average Mass 3026.741
Monoisotopic Mass 3025.06853
InChI InChI=1S/C115H188N8O84/c1-27-61(149)76(164)79(167)103(182-27)180-26-52-86(73(161)56(98(172)183-52)119-31(5)138)194-100-57(120-32(6)139)74(162)84(48(22-133)190-100)195-104-80(168)92(199-109-97(77(165)65(153)42(16-127)189-109)201-102-60(123-35(9)142)88(68(156)44(18-129)185-102)198-107-83(171)95(71(159)47(21-132)188-107)207-115(112(177)178)12-38(145)55(118-30(4)137)91(204-115)64(152)41(148)15-126)72(160)51(192-104)25-181-108-96(200-101-58(121-33(7)140)75(163)85(49(23-134)191-101)196-105-81(169)93(69(157)45(19-130)186-105)205-113(110(173)174)10-36(143)53(116-28(2)135)89(202-113)62(150)39(146)13-124)78(166)66(154)50(193-108)24-179-99-59(122-34(8)141)87(67(155)43(17-128)184-99)197-106-82(170)94(70(158)46(20-131)187-106)206-114(111(175)176)11-37(144)54(117-29(3)136)90(203-114)63(151)40(147)14-125/h27,36-109,124-134,143-172H,10-26H2,1-9H3,(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(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 KJDJFUJHHZEZHS-URQGJBFGSA-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]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)[C@H]1O)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@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO[C@@H]9O[C@@H]([C@@H](O)[C@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%10O)CO)[C@H]9NC(=O)C)CO)[C@H]%12O[C@@H]([C@@H](O)[C@H](O)[C@@H]%12O[C@@H]%13O[C@@H]([C@@H](O)[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]%13NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 71297876 (CHEBI:155035) 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->3)-beta-D-galacto-hexopyranosyl-(1->3)-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->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/7,15,14/[a2122h-1x_1-5_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]/1-2-3-4-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_f3-g2_h2-i1_h6-l1_i4-j1_j3-k2_l3-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G85101OA GlyTouCan
G85101OA GlyGen
View more database links