CHEBI:147107 - CID 91850080

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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 91850080
ChEBI ID CHEBI:147107
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C107H177N7O78
Net Charge 0
Average Mass 2809.564
Monoisotopic Mass 2808.00989
InChI InChI=1S/C107H177N7O78/c1-24-54(135)67(148)73(154)98(167-24)188-88-53(114-31(8)132)97(176-43(20-125)86(88)187-101-76(157)70(151)58(139)36(13-118)171-101)190-90-72(153)60(141)44(21-164-93-49(110-27(4)128)63(144)81(38(15-120)172-93)183-99-74(155)68(149)56(137)34(11-116)169-99)180-104(90)165-22-45-61(142)89(79(160)103(178-45)186-84-41(18-123)173-94(50(65(84)146)111-28(5)129)181-80-37(14-119)168-92(161)48(62(80)143)109-26(3)127)189-105-91(78(159)85(42(19-124)177-105)182-95-51(112-29(6)130)64(145)82(39(16-121)174-95)184-100-75(156)69(150)57(138)35(12-117)170-100)191-96-52(113-30(7)131)66(147)83(40(17-122)175-96)185-102-77(158)71(152)59(140)46(179-102)23-166-107(106(162)163)9-32(133)47(108-25(2)126)87(192-107)55(136)33(134)10-115/h24,32-105,115-125,133-161H,9-23H2,1-8H3,(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,162,163)/t24-,32-,33+,34+,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+,107+/m0/s1
InChIKey PHRUGIYVVVWGPP-LAIVSCBRSA-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@H]6O)CO)[C@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]5NC(=O)C)CO)CO[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@@H]%10O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O)[C@H]%14O)CO[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](O)[C@H]%13NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91850080 (CHEBI:147107) 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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/7,15,14/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-4-2-7-5-2-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n4-o1 SUBMITTER
Manual Xrefs Databases
G10228AY GlyTouCan
G10228AY GlyGen
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