CHEBI:155503 - CID 91848473

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 91848473
ChEBI ID CHEBI:155503
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information ChemicalBook:CB4449362, eMolecules:516118, ZINC000006920430
Download Molfile XML SDF
Formula C109H178N8O80
Net Charge 0
Average Mass 2880.599
Monoisotopic Mass 2879.01062
InChI InChI=1S/C109H178N8O80/c1-26(129)110-51-34(137)9-107(104(165)166,194-86(51)59(143)37(140)12-118)172-24-48-64(148)72(156)76(160)98(182-48)186-81-44(19-125)180-96(57(70(81)154)116-32(7)135)192-91-74(158)62(146)40(15-121)176-102(91)171-23-50-85(190-95-56(115-31(6)134)69(153)83(47(22-128)179-95)188-100-78(162)89(66(150)42(17-123)175-100)197-109(106(169)170)11-36(139)53(112-28(3)131)88(196-109)61(145)39(142)14-120)90(79(163)101(184-50)189-84-46(21-127)178-94(55(68(84)152)114-30(5)133)185-80-43(18-124)174-93(164)54(67(80)151)113-29(4)132)191-103-92(75(159)63(147)41(16-122)177-103)193-97-58(117-33(8)136)71(155)82(45(20-126)181-97)187-99-77(161)73(157)65(149)49(183-99)25-173-108(105(167)168)10-35(138)52(111-27(2)130)87(195-108)60(144)38(141)13-119/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,165,166)(H,167,168)(H,169,170)/t34-,35-,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 CMMHCCUBZBYNIJ-USLKYALQSA-N
SMILES O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@@H]3NC(=O)C)CO)CO)[C@H](O)[C@@H](O[C@@H]1CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO[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](O)[C@H]7NC(=O)C)CO)CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]%11CO)O)[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91848473 (CHEBI:155503) 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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][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->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,14,13/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c4-h1_c6-k1_d2-e1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G93148GC GlyTouCan
G93148GC GlyGen
View more database links