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CHEBI:153589 - CID 91846628

ChEBI IDCHEBI:153589
ChEBI NameCID 91846628
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC106H172N8O78
Net Charge0
Average Mass2806.520
Monoisotopic Mass2804.97384
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,13,12/[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]/1-1-2-3-1-4-5-5-3-1-4-5-5/a4-b1_b4-c1_c3-d1_c6-i1_d4-e1_e3-f1_e6-h2_f4-g2_i2-j1_j3-k1_j6-m2_k4-l2
InChIInChI=1S/C106H172N8O78/c1-26(125)107-51-34(133)9-103(99(160)161,189-84(51)59(141)38(137)13-115)169-24-49-64(146)82(183-94-74(156)71(153)80(46(21-123)175-94)187-105(101(164)165)11-36(135)53(109-28(3)127)86(191-105)61(143)40(139)15-117)57(113-32(7)131)92(177-49)181-79-45(20-122)174-96(73(155)70(79)152)185-88-66(148)48(179-97(76(88)158)182-78-44(19-121)173-91(56(68(78)150)112-31(6)130)180-77-43(18-120)171-90(159)55(67(77)149)111-30(5)129)23-168-98-89(69(151)63(145)42(17-119)172-98)186-93-58(114-33(8)132)83(65(147)50(178-93)25-170-104(100(162)163)10-35(134)52(108-27(2)126)85(190-104)60(142)39(138)14-116)184-95-75(157)72(154)81(47(22-124)176-95)188-106(102(166)167)12-37(136)54(110-29(4)128)87(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
InChIKeyWIVGOHIEROGSSS-JCZQYXQKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846628 (CHEBI:153589) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->4)-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-4)Man(a1-3)[NeuAc(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G73869CTGlyGen
G73869CTGlyTouCan