CHEBI:147831 - CID 91861528

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 91861528
ChEBI ID CHEBI:147831
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C106H174N8O77
Net Charge 0
Average Mass 2792.537
Monoisotopic Mass 2790.99457
InChI InChI=1S/C106H174N8O77/c1-25(127)107-49-33(135)9-105(103(161)162,189-85(49)57(139)35(137)11-115)166-24-47-62(144)71(153)74(156)98(177-47)182-80-43(19-123)175-96(56(69(80)151)114-32(8)134)188-90-75(157)83(180-94-54(112-30(6)132)67(149)81(44(20-124)173-94)183-99-76(158)87(63(145)40(16-120)170-99)191-106(104(163)164)10-34(136)50(108-26(2)128)86(190-106)58(140)36(138)12-116)46(22-126)176-102(90)186-88-77(159)100(184-82-45(21-125)172-93(53(66(82)148)111-29(5)131)179-78-41(17-121)167-91(160)51(65(78)147)109-27(3)129)178-48(84(88)185-92-52(110-28(4)130)64(146)59(141)37(13-117)168-92)23-165-101-89(72(154)61(143)39(15-119)171-101)187-95-55(113-31(7)133)68(150)79(42(18-122)174-95)181-97-73(155)70(152)60(142)38(14-118)169-97/h33-102,115-126,135-160H,9-24H2,1-8H3,(H,107,127)(H,108,128)(H,109,129)(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,161,162)(H,163,164)/t33-,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+,105+,106-/m0/s1
InChIKey FXNDEEOWHXLRFF-KZXSQDKCSA-N
SMILES O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O)[C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[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]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)[C@H](O)[C@@H]8O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[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](O)[C@H]%12NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91861528 (CHEBI:147831) 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->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/5,14,13/[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]/1-1-2-3-1-4-5-1-4-5-1-3-1-4/a4-b1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_l2-m1_m4-n1 SUBMITTER
Manual Xrefs Databases
G12318EJ GlyTouCan
G12318EJ GlyGen
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