CHEBI:150040 - CID 91858885

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 91858885
ChEBI ID CHEBI:150040
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C106H172N8O78
Net Charge 0
Average Mass 2806.520
Monoisotopic Mass 2804.97384
InChI InChI=1S/C106H172N8O78/c1-26(125)107-51-34(133)9-103(99(160)161,189-83(51)59(141)38(137)13-115)169-24-49-65(147)81(182-94-74(156)72(154)79(46(21-123)175-94)187-105(101(164)165)11-36(135)53(109-28(3)127)85(191-105)61(143)40(139)15-117)57(113-32(7)131)92(177-49)185-88-70(152)63(145)42(17-119)172-97(88)168-23-48-67(149)87(76(158)96(179-48)181-78-45(20-122)174-91(56(69(78)151)112-31(6)130)180-77-44(19-121)171-90(159)55(68(77)150)111-30(5)129)184-98-89(71(153)64(146)43(18-120)173-98)186-93-58(114-33(8)132)82(66(148)50(178-93)25-170-104(100(162)163)10-35(134)52(108-27(2)126)84(190-104)60(142)39(138)14-116)183-95-75(157)73(155)80(47(22-124)176-95)188-106(102(166)167)12-37(136)54(110-29(4)128)86(192-106)62(144)41(140)16-118/h34-98,115-124,133-159H,9-25H2,1-8H3,(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,160,161)(H,162,163)(H,164,165)(H,166,167)/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+,103+,104+,105+,106+/m0/s1
InChIKey BPDKCMDPDZLWLX-QVCGCJKUSA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)CO)[C@H]1NC(=O)C)CO[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]5[C@@H](O[C@H]6[C@H](O)[C@H](O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]8CO)O)[C@H]6O)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]%11O[C@@H]([C@H](O[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%11O)CO)[C@H]%10NC(=O)C)CO[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)CO)O[C@@H]([C@@H](O)[C@@H]5O)CO
ChEBI Ontology
Outgoing CID 91858885 (CHEBI:150040) is a polysaccharide (CHEBI:18154)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-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(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc SUBMITTER
WURCS=2.0/6,13,12/[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]/1-2-3-4-2-5-6-6-4-2-5-6-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f4-g2_i2-j1_j3-k1_j6-m2_k4-l2 SUBMITTER
Manual Xrefs Databases
G40095NL GlyGen
G40095NL GlyTouCan
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