CHEBI:157261 - CID 146016799

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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 146016799
ChEBI ID CHEBI:157261
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C120H197N9O89S
Net Charge 0
Average Mass 3221.930
Monoisotopic Mass 3220.08867
InChI InChI=1S/C120H197N9O89S/c1-28-64(156)79(171)81(173)110(189-28)187-27-54-92(74(166)57(103(179)190-54)123-31(4)145)204-107-61(127-35(8)149)76(168)87(46(19-136)196-107)205-111-83(175)97(71(163)53(202-111)26-188-115-101(80(172)69(161)44(17-134)194-115)212-108-62(128-36(9)150)77(169)90(49(22-139)197-108)208-114-86(178)100(94(52(25-142)200-114)210-105-59(125-33(6)147)73(165)68(160)43(16-133)192-105)217-120(118(182)183)12-39(153)56(122-30(3)144)96(215-120)66(158)41(155)14-131)211-116-102(213-109-63(129-37(10)151)78(170)88(48(21-138)198-109)206-112-84(176)98(218-219(184,185)186)70(162)45(18-135)193-112)82(174)91(50(23-140)201-116)203-106-60(126-34(7)148)75(167)89(47(20-137)195-106)207-113-85(177)99(93(51(24-141)199-113)209-104-58(124-32(5)146)72(164)67(159)42(15-132)191-104)216-119(117(180)181)11-38(152)55(121-29(2)143)95(214-119)65(157)40(154)13-130/h28,38-116,130-142,152-179H,11-27H2,1-10H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,150)(H,129,151)(H,180,181)(H,182,183)(H,184,185,186)/t28-,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+,97-,98-,99+,100+,101-,102-,103+,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116+,119-,120-/m0/s1
InChIKey RNEFLAKLOFSWFQ-HWBTZOKUSA-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]6O[C@@H]([C@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H](O[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[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]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)O)[C@H]8O)CO[C@H]%12O[C@@H]([C@@H](O)[C@H](O)[C@@H]%12O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O)[C@H]%15NC(=O)C)CO)[C@H](O[C@]%16(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%16)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO)CO)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing CID 146016799 (CHEBI:157261) 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)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/8,16,15/[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][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-1-5-6-7-3-1-5-6-7-8/a4-b1_a6-p1_b4-c1_c3-d1_c6-k1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_h4-j1_k2-l1_l4-m1_m3-n2_m4-o1 SUBMITTER
Manual Xrefs Databases
G31532GK GlyTouCan
G31532GK GlyGen
View more database links