CHEBI:157045 - CID 146016574

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 146016574
ChEBI ID CHEBI:157045
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C88H148N2O71
Net Charge 0
Average Mass 2370.095
Monoisotopic Mass 2368.80319
InChI InChI=1S/C88H148N2O71/c1-17(102)89-33-47(116)65(28(12-100)138-75(33)134)152-76-34(90-18(2)103)48(117)66(29(13-101)148-76)153-83-64(133)69(46(115)32(150-83)15-135-77-62(131)68(155-86-72(55(124)41(110)25(9-97)146-86)159-80-60(129)51(120)37(106)21(5-93)141-80)45(114)31(149-77)16-137-84-70(53(122)39(108)23(7-95)144-84)157-79-59(128)50(119)36(105)20(4-92)140-79)156-88-74(161-87-73(56(125)42(111)26(10-98)147-87)160-81-61(130)52(121)38(107)22(6-94)142-81)57(126)43(112)30(151-88)14-136-85-71(54(123)40(109)24(8-96)145-85)158-82-63(132)67(44(113)27(11-99)143-82)154-78-58(127)49(118)35(104)19(3-91)139-78/h19-88,91-101,104-134H,3-16H2,1-2H3,(H,89,102)(H,90,103)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,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-/m1/s1
InChIKey IJTAAOBZOVRMAV-YJNAEKJISA-N
SMILES O([C@@H]1[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@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)[C@@H]4O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)CO)[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O)CO)CO)CO[C@H]%12O[C@@H]([C@@H](O)[C@H](O)[C@@H]%12O[C@H]%13O[C@@H]([C@@H](O)[C@H](O[C@H]%14O[C@@H]([C@@H](O)[C@H](O)[C@@H]%14O)CO)[C@@H]%13O)CO)CO
ChEBI Ontology
Outgoing CID 146016574 (CHEBI:157045) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
alpha-D-manno-hexopyranosyl-(1->3)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-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-beta-D-gluco-hexopyranose SUBMITTER
Man(a1-3)Man(a1-2)Man(a1-6)[Man(a1-2)Man(a1-2)]Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc SUBMITTER
WURCS=2.0/3,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d6-g1_e2-f1_g2-h1_h3-i1_j3-k1_j6-m1_k2-l1_m2-n1 SUBMITTER
Manual Xrefs Databases
G26474XX GlyTouCan
G26474XX GlyGen
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