CHEBI:155460 - CID 91862149

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 91862149
ChEBI ID CHEBI:155460
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C109H178N8O80
Net Charge 0
Average Mass 2880.599
Monoisotopic Mass 2879.01062
InChI InChI=1S/C109H178N8O80/c1-26(128)110-51-34(136)9-107(104(165)166,194-86(51)59(142)37(139)12-118)173-24-49-63(146)73(156)77(160)98(183-49)187-82-43(18-124)178-94(55(69(82)152)114-30(5)132)171-22-47-65(148)76(159)92(193-97-58(117-33(8)135)72(155)85(46(21-127)181-97)190-101-80(163)90(66(149)41(16-122)176-101)197-109(106(169)170)11-36(138)53(112-28(3)130)88(196-109)61(144)39(141)14-120)103(185-47)191-89-67(150)48(182-100(79(89)162)189-84-45(20-126)179-95(56(70(84)153)115-31(6)133)186-81-42(17-123)175-93(164)54(68(81)151)113-29(4)131)23-172-102-91(75(158)62(145)40(15-121)177-102)192-96-57(116-32(7)134)71(154)83(44(19-125)180-96)188-99-78(161)74(157)64(147)50(184-99)25-174-108(105(167)168)10-35(137)52(111-27(2)129)87(195-108)60(143)38(140)13-119/h34-103,118-127,136-164H,9-25H2,1-8H3,(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,133)(H,116,134)(H,117,135)(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 NCCBQVAKZZFVDW-KAGRNRGXSA-N
SMILES O([C@@H]1[C@H](O)[C@@H](O[C@@H]([C@H]1O)CO[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)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]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@]%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)CO[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[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](O)[C@H]%12NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91862149 (CHEBI:155460) is a polysaccharide (CHEBI:18154)
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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]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_d6-h1_e4-f1_f3-g2_h4-i1_i6-j2_k2-l1_l4-m1_m6-n2 SUBMITTER
Manual Xrefs Databases
G98453VS GlyGen
G98453VS GlyTouCan
View more database links