CHEBI:153604 - CID 91858108

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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 91858108
ChEBI ID CHEBI:153604
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C112H184N8O82
Net Charge 0
Average Mass 2954.678
Monoisotopic Mass 2953.04740
InChI InChI=1S/C112H184N8O82/c1-26(132)113-51-34(140)9-111(109(170)171,201-91(51)59(144)36(142)11-121)176-24-49-63(148)75(160)80(165)104(188-49)195-87-43(18-128)184-100(57(71(87)156)119-32(7)138)199-94-77(162)65(150)47(22-174-97-54(116-29(4)135)68(153)85(41(16-126)181-97)193-102-78(163)73(158)61(146)38(13-123)179-102)190-107(94)175-23-48-66(151)93(83(168)106(187-48)197-89-45(20-130)182-98(55(70(89)155)117-30(5)136)191-84-40(15-125)178-96(169)53(67(84)152)115-28(3)134)198-108-95(82(167)90(46(21-131)186-108)192-99-56(118-31(6)137)69(154)86(42(17-127)183-99)194-103-79(164)74(159)62(147)39(14-124)180-103)200-101-58(120-33(8)139)72(157)88(44(19-129)185-101)196-105-81(166)76(161)64(149)50(189-105)25-177-112(110(172)173)10-35(141)52(114-27(2)133)92(202-112)60(145)37(143)12-122/h34-108,121-131,140-169H,9-25H2,1-8H3,(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,170,171)(H,172,173)/t34-,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?,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,111+,112+/m0/s1
InChIKey BHMWYAPMPOWZQD-KLGQRLIVSA-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]5O)CO[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](O)[C@H]4NC(=O)C)CO)CO)[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)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@H]%12O)CO[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](O)[C@H]%11NC(=O)C)CO)CO[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O)[C@H]%15O)CO)[C@H](O)[C@H]%14NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91858108 (CHEBI:153604) 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)-[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)-[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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,15,14/[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]/1-2-3-4-2-5-6-2-5-4-2-5-6-2-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-n1_k4-l1_l6-m2_n4-o1 SUBMITTER
Manual Xrefs Databases
G79702QE GlyTouCan
G79702QE GlyGen
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