CHEBI:155113 - CID 91850717

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 91850717
ChEBI ID CHEBI:155113
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(147)76(162)81(167)103(184-27)180-24-52-90(71(157)56(98(172)185-52)119-31(5)136)196-100-58(121-33(7)138)73(159)88(46(20-131)189-100)199-106-84(170)94(201-109-97(79(165)65(151)42(16-127)187-109)203-102-60(123-35(9)140)74(160)87(45(19-130)191-102)198-105-83(169)78(164)67(153)51(194-105)26-183-114(111(175)176)11-37(142)54(117-29(3)134)92(205-114)63(149)40(145)14-125)70(156)49(192-106)23-181-108-96(202-101-59(122-34(8)139)75(161)89(47(21-132)190-101)200-107-85(171)95(69(155)43(17-128)186-107)207-115(112(177)178)12-38(143)55(118-30(4)135)93(206-115)64(150)41(146)15-126)80(166)68(154)48(195-108)22-179-99-57(120-32(6)137)72(158)86(44(18-129)188-99)197-104-82(168)77(163)66(152)50(193-104)25-182-113(110(173)174)10-36(141)53(116-28(2)133)91(204-113)62(148)39(144)13-124/h27,36-109,124-132,141-172H,10-26H2,1-9H3,(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)(H,121,138)(H,122,139)(H,123,140)(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 WOZSCYWQMODCRX-WWGDOAJZSA-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]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[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](O)[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]%14O[C@@H]([C@H](O)[C@H](O)[C@H]%14O)CO[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](O)[C@H]%13NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91850717 (CHEBI:155113) is a polysaccharide (CHEBI:18154)
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->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(a2-6)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(b1-6)]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_e4-f1_f6-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G97185IQ GlyGen
G97185IQ GlyTouCan
View more database links