CHEBI:155736 - CID 91850783

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 91850783
ChEBI ID CHEBI:155736
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)65(139)69(143)89(155-23)152-20-43-76(61(135)47(84(147)156-43)101-26(4)117)166-86-49(103-28(6)119)62(136)75(40(18-113)161-86)169-92-72(146)81(171-94-83(68(142)57(131)37(15-110)160-94)173-88-51(105-30(8)121)63(137)73(39(17-112)163-88)167-90-70(144)66(140)58(132)42(164-90)22-154-97(95(148)149)9-31(122)45(99-24(2)115)78(174-97)53(127)33(124)11-106)77(170-85-48(102-27(5)118)60(134)55(129)35(13-108)157-85)44(165-92)21-153-93-82(67(141)56(130)36(14-109)159-93)172-87-50(104-29(7)120)64(138)74(41(19-114)162-87)168-91-71(145)80(59(133)38(16-111)158-91)176-98(96(150)151)10-32(123)46(100-25(3)116)79(175-98)54(128)34(125)12-107/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 GJDNMVHIRPFVJP-KMOOCZJHSA-N
SMILES O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)O)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]%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)CO
ChEBI Ontology
Outgoing CID 91850783 (CHEBI:155736) 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)-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->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/6,13,12/[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]/1-1-2-3-1-4-5-1-3-1-4-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f6-g2_i2-j1_j4-k1_k3-l2 SUBMITTER
Manual Xrefs Databases
G94045IP GlyTouCan
G94045IP GlyGen
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