CHEBI:157489 - CID 146017474

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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 146017474
ChEBI ID CHEBI:157489
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C98H161N7O75S
Net Charge 0
Average Mass 2669.400
Monoisotopic Mass 2667.87202
InChI InChI=1S/C98H161N7O75S/c1-23(118)99-45-30(125)8-97(95(148)149,176-76(45)52(129)32(127)10-106)178-79-55(132)35(13-109)157-90(67(79)144)170-72-40(18-114)162-86(49(61(72)138)103-27(5)122)168-75-43(21-117)165-94(83(65(75)142)175-88-51(105-29(7)124)63(140)74(42(20-116)164-88)172-92-69(146)81(180-181(152,153)154)57(134)37(15-111)159-92)173-78-58(135)44(166-89(66(78)143)169-71-39(17-113)161-85(48(60(71)137)102-26(4)121)167-70-38(16-112)156-84(147)47(59(70)136)101-25(3)120)22-155-93-82(64(141)54(131)34(12-108)160-93)174-87-50(104-28(6)123)62(139)73(41(19-115)163-87)171-91-68(145)80(56(133)36(14-110)158-91)179-98(96(150)151)9-31(126)46(100-24(2)119)77(177-98)53(130)33(128)11-107/h30-94,106-117,125-147H,8-22H2,1-7H3,(H,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,148,149)(H,150,151)(H,152,153,154)/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 FTOJONVHFRHUEG-RDTPFGNGSA-N
SMILES S(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]3[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[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]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O[C@@H]3O[C@H]7[C@H](O)[C@H](O[C@@H](O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O)[C@H]7O)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)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing CID 146017474 (CHEBI:157489) 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->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[3-O-sulfo-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)]-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(b1-4)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-1-5-6-3-1-5-6/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_j2-k1_k4-l1_l3-m2 SUBMITTER
Manual Xrefs Databases
G65449BO GlyTouCan
G65449BO GlyGen
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