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CHEBI:154873 - CID 91851214

ChEBI IDCHEBI:154873
ChEBI NameCID 91851214
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC114H190N6O82
Net Charge0
Average Mass2956.734
Monoisotopic Mass2955.08820
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](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]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-4-2-5-6-2-5-6-5/a4-b1_a6-q1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n3-o1_n4-p1
InChIInChI=1S/C114H190N6O82/c1-24-53(137)66(150)75(159)104(173-24)171-23-46-88(63(147)47(98(169)177-46)115-28(5)131)191-101-49(117-30(7)133)65(149)86(39(16-126)184-101)193-112-84(168)95(200-114-97(83(167)87(40(17-127)187-114)190-100-48(116-29(6)132)64(148)85(38(15-125)183-100)192-108-79(163)70(154)57(141)34(11-121)178-108)202-103-52(120-33(10)136)94(199-107-78(162)69(153)56(140)27(4)176-107)91(43(20-130)186-103)196-111-82(166)73(157)60(144)37(14-124)181-111)62(146)45(188-112)22-172-113-96(201-102-51(119-32(9)135)93(198-106-77(161)68(152)55(139)26(3)175-106)90(42(19-129)185-102)195-110-81(165)72(156)59(143)36(13-123)180-110)74(158)61(145)44(189-113)21-170-99-50(118-31(8)134)92(197-105-76(160)67(151)54(138)25(2)174-105)89(41(18-128)182-99)194-109-80(164)71(155)58(142)35(12-122)179-109/h24-27,34-114,121-130,137-169H,11-23H2,1-10H3,(H,115,131)(H,116,132)(H,117,133)(H,118,134)(H,119,135)(H,120,136)/t24-,25-,26-,27-,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-,113-,114+/m0/s1
InChIKeyNHTNTLOWSZAPQD-YCVRBALOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851214 (CHEBI:154873) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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