CHEBI:154965 - CID 91854236

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 91854236
ChEBI ID CHEBI:154965
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C140H228N10O102
Net Charge 0
Average Mass 3683.332
Monoisotopic Mass 3681.29614
InChI InChI=1S/C140H228N10O102/c1-33-75(182)91(198)95(202)125(222-33)243-113-74(150-43(11)173)120(226-60(28-163)108(113)242-130-101(208)116(84(191)53(21-156)225-130)252-140(136(216)217)15-47(177)68(144-37(5)167)112(250-140)79(186)51(181)19-154)218-29-61-82(189)94(201)117(245-123-72(148-41(9)171)89(196)103(55(23-158)229-123)238-126-96(203)92(199)80(187)63(233-126)31-220-137(133(210)211)12-44(174)65(141-34(2)164)109(247-137)76(183)48(178)16-151)131(235-61)219-30-62-85(192)114(99(206)128(232-62)240-105-57(25-160)227-121(70(87(105)194)146-39(7)169)236-102-54(22-157)223-119(209)69(86(102)193)145-38(6)168)244-132-118(246-124-73(149-42(10)172)90(197)104(56(24-159)230-124)239-127-97(204)93(200)81(188)64(234-127)32-221-138(134(212)213)13-45(175)66(142-35(3)165)110(248-138)77(184)49(179)17-152)98(205)107(59(27-162)231-132)237-122-71(147-40(8)170)88(195)106(58(26-161)228-122)241-129-100(207)115(83(190)52(20-155)224-129)251-139(135(214)215)14-46(176)67(143-36(4)166)111(249-139)78(185)50(180)18-153/h33,44-132,151-163,174-209H,12-32H2,1-11H3,(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,172)(H,150,173)(H,210,211)(H,212,213)(H,214,215)(H,216,217)/t33-,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-,117-,118-,119+,120+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,137+,138+,139-,140-/m0/s1
InChIKey HQTRDWLQIHWHPK-HJIQCQPYSA-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@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[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](O)[C@H]5NC(=O)C)CO)CO)[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)O)[C@H]8O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%12NC(=O)C)CO)CO[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O[C@]%17(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%17)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%16O)CO)[C@H](O[C@@H]%18O[C@H]([C@@H](O)[C@@H](O)[C@@H]%18O)C)[C@H]%15NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91854236 (CHEBI:154965) 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)-[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)]-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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/6,18,17/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5-1-6-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m6-n2_o3-p1_o4-q1_q3-r2 SUBMITTER
Manual Xrefs Databases
G84778XH GlyTouCan
G84778XH GlyGen
View more database links