CHEBI:155614 - CID 71297832

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 71297832
ChEBI ID CHEBI:155614
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C98H161N7O72
Net Charge 0
Average Mass 2589.343
Monoisotopic Mass 2587.91520
InChI InChI=1S/C98H161N7O72/c1-23(117)99-45-30(124)8-97(95(149)150,174-77(45)52(128)32(126)10-106)176-80-57(133)36(14-110)157-91(70(80)146)169-73-39(17-113)160-85(48(61(73)137)102-26(4)120)153-21-43-56(132)67(143)82(172-87-50(104-28(6)122)64(140)76(42(20-116)162-87)170-92-71(147)81(58(134)37(15-111)158-92)177-98(96(151)152)9-31(125)46(100-24(2)118)78(175-98)53(129)33(127)11-107)93(165-43)154-22-44-59(135)79(69(145)90(164-44)168-75-41(19-115)161-86(49(62(75)138)103-27(5)121)166-72-38(16-112)155-84(148)47(60(72)136)101-25(3)119)171-94-83(66(142)55(131)35(13-109)159-94)173-88-51(105-29(7)123)63(139)74(40(18-114)163-88)167-89-68(144)65(141)54(130)34(12-108)156-89/h30-94,106-116,124-148H,8-22H2,1-7H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,149,150)(H,151,152)/t30-,31-,32+,33+,34+,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+,97-,98-/m0/s1
InChIKey YITASJIXBADWPO-CWFMJUBWSA-N
SMILES O1[C@@H]([C@@H](O)[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@H](O)[C@H]3NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO)O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO
ChEBI Ontology
Outgoing CID 71297832 (CHEBI:155614) 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->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-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)]-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(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,13,12/[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]/1-2-3-4-2-5-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_g6-k1_h4-i1_i3-j2_k4-l1_l3-m2 SUBMITTER
Manual Xrefs Databases
G99141XX GlyGen
G99141XX GlyTouCan
View more database links