CHEBI:155440 - CID 91856517

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 91856517
ChEBI ID CHEBI:155440
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information eMolecules:31231785, ZINC000005784249
Download Molfile XML SDF
Formula C117H191N9O84
Net Charge 0
Average Mass 3067.794
Monoisotopic Mass 3066.09508
InChI InChI=1S/C117H191N9O84/c1-28-64(152)80(168)83(171)106(186-28)183-26-54-91(75(163)58(100(175)187-54)121-32(5)140)199-103-61(124-35(8)143)78(166)89(49(22-135)192-103)200-107-84(172)95(203-111-99(81(169)68(156)44(17-130)190-111)205-105-62(125-36(9)144)77(165)87(48(21-134)193-105)198-102-59(122-33(6)141)74(162)69(157)53(195-102)27-185-115(112(176)177)11-38(146)55(118-29(2)137)92(206-115)65(153)41(149)14-127)73(161)52(196-107)25-184-110-98(204-104-63(126-37(10)145)79(167)90(50(23-136)194-104)202-109-86(174)97(72(160)46(19-132)189-109)210-117(114(180)181)13-40(148)57(120-31(4)139)94(208-117)67(155)43(151)16-129)82(170)70(158)51(197-110)24-182-101-60(123-34(7)142)76(164)88(47(20-133)191-101)201-108-85(173)96(71(159)45(18-131)188-108)209-116(113(178)179)12-39(147)56(119-30(3)138)93(207-116)66(154)42(150)15-128/h28,38-111,127-136,146-175H,11-27H2,1-10H3,(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,124,143)(H,125,144)(H,126,145)(H,176,177)(H,178,179)(H,180,181)/t28-,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+,115+,116-,117-/m0/s1
InChIKey FUJLXTYWNPYLMY-OVFPFQILSA-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@@H](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@]%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](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]%14NC(=O)C)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 91856517 (CHEBI:155440) is a polysaccharide (CHEBI:18154)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-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->3)-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-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/7,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-6-5-1-6-5-7/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_m3-n2 SUBMITTER
Manual Xrefs Databases
G95658PH GlyTouCan
G95658PH GlyGen
View more database links