CHEBI:148932 - CID 91849420

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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 91849420
ChEBI ID CHEBI:148932
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C109H178N8O80
Net Charge 0
Average Mass 2880.599
Monoisotopic Mass 2879.01062
InChI InChI=1S/C109H178N8O80/c1-26(130)110-51-34(138)9-107(104(165)166,193-86(51)59(144)37(141)12-118)172-25-49-63(148)71(156)74(159)98(182-49)186-80-45(20-126)180-97(58(69(80)154)117-33(8)137)192-92-76(161)84(185-95-56(115-31(6)135)68(153)82(46(21-127)178-95)188-100-77(162)89(64(149)41(16-122)174-100)196-108(105(167)168)10-35(139)52(111-27(2)131)87(194-108)60(145)38(142)13-119)48(23-129)181-103(92)190-85-50(183-99(75(160)73(85)158)187-81-44(19-125)177-94(55(67(81)152)114-30(5)134)184-79-43(18-124)173-93(164)54(66(79)151)113-29(4)133)24-171-102-91(72(157)62(147)40(15-121)176-102)191-96-57(116-32(7)136)70(155)83(47(22-128)179-96)189-101-78(163)90(65(150)42(17-123)175-101)197-109(106(169)170)11-36(140)53(112-28(3)132)88(195-109)61(146)39(143)14-120/h34-103,118-129,138-164H,9-25H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,165,166)(H,167,168)(H,169,170)/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+,107+,108-,109-/m0/s1
InChIKey HTVKSYOXTUKAMX-SPINOVASSA-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]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(O[C@@H]%10CO)O)[C@@H](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@]%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]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91849420 (CHEBI:148932) 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->4)-[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)-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)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-4)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,14,13/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6/a4-b1_b4-c1_c4-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G24596ML GlyTouCan
G24596ML GlyGen
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