CHEBI:146447 - CID 91857480

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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 91857480
ChEBI ID CHEBI:146447
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(129)110-51-34(137)9-107(104(165)166,193-85(51)59(143)37(140)12-118)173-25-50-63(147)73(157)76(160)98(183-50)186-82-45(20-126)181-97(58(71(82)155)117-33(8)136)192-92-75(159)64(148)48(23-171-94-55(114-30(5)133)69(153)81(44(19-125)178-94)188-100-78(162)89(65(149)41(16-122)175-100)196-108(105(167)168)10-35(138)52(111-27(2)130)86(194-108)60(144)38(141)13-119)184-103(92)190-88-67(151)49(182-99(77(88)161)187-83-46(21-127)179-95(56(70(83)154)115-31(6)134)185-80-43(18-124)174-93(164)54(68(80)152)113-29(4)132)24-172-102-91(74(158)62(146)40(15-121)177-102)191-96-57(116-32(7)135)72(156)84(47(22-128)180-96)189-101-79(163)90(66(150)42(17-123)176-101)197-109(106(169)170)11-36(139)53(112-28(3)131)87(195-109)61(145)39(142)14-120/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(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 VUEACRIAYOZGMU-AVCZDMDPSA-N
SMILES O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[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]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)CO)CO[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
ChEBI Ontology
Outgoing CID 91857480 (CHEBI:146447) 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->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[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(b1-6)]Man(a1-3)[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_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2 SUBMITTER
Manual Xrefs Databases
G02760XH GlyGen
G02760XH GlyTouCan
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