CHEBI:149153 - CID 91845890

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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 91845890
ChEBI ID CHEBI:149153
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C96H159N9O66
Net Charge 0
Average Mass 2495.325
Monoisotopic Mass 2493.93621
InChI InChI=1S/C96H159N9O66/c1-23(117)97-45-63(135)74(36(14-110)149-84(45)146)162-89-50(102-28(6)122)68(140)79(41(19-115)155-89)168-94-73(145)81(169-96-83(171-92-53(105-31(9)125)66(138)77(39(17-113)158-92)165-88-48(100-26(4)120)62(134)56(128)34(12-108)152-88)72(144)80(42(20-116)159-96)166-90-51(103-29(7)123)67(139)78(40(18-114)156-90)167-93-71(143)69(141)57(129)35(13-109)153-93)59(131)44(160-94)22-148-95-82(170-91-52(104-30(8)124)65(137)76(38(16-112)157-91)164-87-47(99-25(3)119)61(133)55(127)33(11-107)151-87)70(142)58(130)43(161-95)21-147-85-49(101-27(5)121)64(136)75(37(15-111)154-85)163-86-46(98-24(2)118)60(132)54(126)32(10-106)150-86/h32-96,106-116,126-146H,10-22H2,1-9H3,(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,124)(H,105,125)/t32-,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+,95+,96-/m1/s1
InChIKey HVKDDYJFXMPTJW-UBOXIHJBSA-N
SMILES O([C@H]1O[C@@H]([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]1O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H]6[C@H](O)[C@H](O[C@@H](O[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(O[C@@H]8CO)O)[C@H]6O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@H]%10NC(=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]%13NC(=O)C)CO)[C@H](O)[C@H]%12NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91845890 (CHEBI:149153) is a polysaccharide (CHEBI:18154)
Synonyms Sources
2-acetamido-2-deoxy-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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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
GalNAc(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GalNAc(b1-4)GlcNAc(b1-2)[GalNAc(b1-4)GlcNAc(b1-6)]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_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-2-5-2-6-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1 SUBMITTER
Manual Xrefs Databases
G31186LT GlyTouCan
G31186LT GlyGen
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