CHEBI:153091 - CID 91859895

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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 91859895
ChEBI ID CHEBI:153091
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C137H224N10O102S
Net Charge 0
Average Mass 3675.330
Monoisotopic Mass 3673.23691
InChI InChI=1S/C137H224N10O102S/c1-32-73(178)90(195)92(197)124(217-32)215-31-62-105(84(189)66(117(204)218-62)141-36(5)165)233-121-70(145-40(9)169)87(192)100(54(23-156)225-121)234-125-94(199)110(240-131-116(93(198)104(58(27-160)229-131)232-120-69(144-39(8)168)86(191)102(55(24-157)224-120)237-128-97(202)113(249-250(211,212)213)81(186)52(21-154)222-128)242-123-72(147-42(11)171)89(194)101(56(25-158)227-123)236-127-96(201)112(80(185)51(20-153)221-127)247-136(133(207)208)13-44(173)64(139-34(3)163)108(244-136)75(180)47(176)16-149)82(187)61(230-125)30-216-130-115(91(196)78(183)60(231-130)29-214-118-68(143-38(7)167)85(190)99(53(22-155)223-118)235-126-95(200)111(79(184)50(19-152)220-126)246-135(132(205)206)12-43(172)63(138-33(2)162)107(243-135)74(179)46(175)15-148)241-122-71(146-41(10)170)88(193)103(57(26-159)226-122)238-129-98(203)114(106(59(28-161)228-129)239-119-67(142-37(6)166)83(188)77(182)49(18-151)219-119)248-137(134(209)210)14-45(174)65(140-35(4)164)109(245-137)76(181)48(177)17-150/h32,43-131,148-161,172-204H,12-31H2,1-11H3,(H,138,162)(H,139,163)(H,140,164)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,205,206)(H,207,208)(H,209,210)(H,211,212,213)/t32-,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-,117?,118+,119-,120-,121-,122-,123-,124+,125-,126-,127-,128-,129-,130-,131+,135-,136-,137-/m0/s1
InChIKey NWOVDSVJTUHHTH-OAXFMPOVSA-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]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(O[C@@H]9CO[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)O)[C@H]7O)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]%14O[C@@H]([C@H](O)[C@H](O)[C@H]%14NC(=O)C)CO)[C@H](O[C@]%15(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%15)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)CO[C@@H]%16O[C@@H]([C@@H](O[C@@H]%17O[C@@H]([C@H](O)[C@H](O[C@]%18(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%18)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%17O)CO)[C@H](O)[C@H]%16NC(=O)C)CO)O[C@@H]3CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing CID 91859895 (CHEBI:153091) is a polysaccharide (CHEBI:18154)
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->2)-[3-O-sulfo-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->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)-[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->6)]-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-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/9,18,17/[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][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-7-4-2-5-6-8-2-5-6-9/a4-b1_a6-r1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_j2-k1_j6-o1_k4-l1_l3-m2_l4-n1_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G68337CZ GlyGen
G68337CZ GlyTouCan
View more database links