CHEBI:146611 - CID 91858044

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 91858044
ChEBI ID CHEBI:146611
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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)172-24-49-64(148)72(156)76(160)98(183-49)187-81-43(18-124)179-96(57(69(81)153)116-32(7)135)192-90-74(158)62(146)40(15-121)175-101(90)171-23-48-66(150)89(79(163)100(182-48)189-83-45(20-126)177-94(55(68(83)152)114-30(5)133)185-80-42(17-123)174-93(164)54(67(80)151)113-29(4)132)191-102-91(193-97-58(117-33(8)136)70(154)82(44(19-125)180-97)188-99-77(161)73(157)65(149)50(184-99)25-173-108(105(167)168)10-35(138)52(111-27(2)130)87(195-108)60(144)38(141)13-119)78(162)85(47(22-128)181-102)186-95-56(115-31(6)134)71(155)84(46(21-127)178-95)190-103-92(75(159)63(147)41(16-122)176-103)197-109(106(169)170)11-36(139)53(112-28(3)131)88(196-109)61(145)39(142)14-120/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 RNUXQKAJTCZDAU-AKUNYRTQSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1CO)O[C@H]5[C@H](O)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O)[C@H]5O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[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)CO)[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O[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)CO)[C@H](O)[C@H]%12NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91858044 (CHEBI:146611) 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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-2)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/5,14,13/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i2-j2_k2-l1_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G03727RK GlyGen
G03727RK GlyTouCan
View more database links