CHEBI:147932 - CID 91856144

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 91856144
ChEBI ID CHEBI:147932
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(116)99-45-30(123)8-97(95(149)150,176-79(45)52(127)32(125)10-106)154-21-43-56(131)65(140)69(144)90(165-43)170-75-38(16-112)161-87(50(62(75)137)104-28(6)121)174-82-67(142)55(130)35(13-109)158-94(82)173-81-58(133)42(164-92(72(81)147)172-77-40(18-114)159-85(48(61(77)136)102-26(4)119)167-73-36(14-110)156-84(148)47(59(73)134)101-25(3)118)20-153-93-83(71(146)78(41(19-115)163-93)168-86-49(103-27(5)120)60(135)74(37(15-111)160-86)169-89-68(143)64(139)54(129)34(12-108)157-89)175-88-51(105-29(7)122)63(138)76(39(17-113)162-88)171-91-70(145)66(141)57(132)44(166-91)22-155-98(96(151)152)9-31(124)46(100-24(2)117)80(177-98)53(128)33(126)11-107/h30-94,106-115,123-148H,8-22H2,1-7H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(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 NIARHWHBHBHMCS-LPKVYLAGSA-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@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1OC[C@H]4O[C@@H](O[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)[C@@H](O)[C@@H](O[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@H]9O)CO[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](O)[C@H]8NC(=O)C)CO)CO)[C@@H]4O)CO)[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO[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](O)[C@H]%11NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91856144 (CHEBI:147932) 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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]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]/1-2-3-4-2-5-6-4-2-5-6-2-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h4-l1_i4-j1_j6-k2_l4-m1 SUBMITTER
Manual Xrefs Databases
G12757LB GlyTouCan
G12757LB GlyGen
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