CHEBI:155510 - CID 71297739

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 71297739
ChEBI ID CHEBI:155510
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C98H161N7O71
Net Charge 0
Average Mass 2573.344
Monoisotopic Mass 2571.92029
InChI InChI=1S/C98H161N7O71/c1-23-52(126)66(140)69(143)89(155-23)153-22-44-74(64(138)47(84(147)156-44)101-26(4)117)166-87-49(103-28(6)119)65(139)73(41(19-114)163-87)167-90-70(144)79(170-94-83(67(141)56(130)36(14-109)162-94)172-88-51(105-30(8)121)76(59(133)38(16-111)159-88)169-92-72(146)81(61(135)40(18-113)161-92)176-98(96(150)151)10-32(123)46(100-25(3)116)78(174-98)54(128)34(125)12-107)62(136)43(164-90)21-154-93-82(171-86-48(102-27(5)118)63(137)55(129)35(13-108)158-86)68(142)57(131)42(165-93)20-152-85-50(104-29(7)120)75(58(132)37(15-110)157-85)168-91-71(145)80(60(134)39(17-112)160-91)175-97(95(148)149)9-31(122)45(99-24(2)115)77(173-97)53(127)33(124)11-106/h23,31-94,106-114,122-147H,9-22H2,1-8H3,(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,148,149)(H,150,151)/t23-,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 HFLLFDDIZHTNIW-RMPWXCOASA-N
SMILES O([C@@H]1[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(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([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](O)[C@H]6NC(=O)C)CO)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[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]8O)CO)[C@H]7NC(=O)C)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O)[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]%11NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 71297739 (CHEBI:155510) 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->3)-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->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)[GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/7,13,12/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-2-2-5-6-7/a4-b1_a6-m1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_f3-g2_h2-i1_h6-j1_j3-k1_k3-l2 SUBMITTER
Manual Xrefs Databases
G95910WJ GlyTouCan
G95910WJ GlyGen
View more database links