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CHEBI:147597 - CID 91851030

ChEBI IDCHEBI:147597
ChEBI NameCID 91851030
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H186N8O80
Net Charge0
Average Mass2924.696
Monoisotopic Mass2923.07322
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-2-5-2-4-2-5-2-5-6/a4-b1_a6-p1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1
InChIInChI=1S/C112H186N8O80/c1-25-57(141)73(157)78(162)105(173-25)171-23-47-91(67(151)49(97(169)174-47)113-26(2)133)190-102-54(118-31(7)138)70(154)89(43(19-130)183-102)195-110-84(168)94(198-112-96(82(166)90(45(21-132)186-112)189-101-53(117-30(6)137)69(153)86(41(17-128)182-101)192-107-80(164)75(159)61(145)37(13-124)178-107)200-104-56(120-33(9)140)72(156)88(44(20-131)185-104)194-109-83(167)93(64(148)39(15-126)180-109)197-100-51(115-28(4)135)66(150)59(143)35(11-122)176-100)92(196-99-50(114-27(3)134)65(149)58(142)34(10-121)175-99)48(188-110)24-172-111-95(199-103-55(119-32(8)139)71(155)87(42(18-129)184-103)193-108-81(165)76(160)62(146)38(14-125)179-108)77(161)63(147)46(187-111)22-170-98-52(116-29(5)136)68(152)85(40(16-127)181-98)191-106-79(163)74(158)60(144)36(12-123)177-106/h25,34-112,121-132,141-169H,10-24H2,1-9H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)/t25-,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+,106-,107-,108-,109-,110-,111-,112+/m0/s1
InChIKeyZDXBIRASVDAETE-YERXWSFMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851030 (CHEBI:147597) is a polysaccharide (CHEBI:18154)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-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->4)]-alpha-D-manno-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)][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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G11540FPGlyTouCan
G11540FPGlyGen