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CHEBI:152004 - CID 91852406

ChEBI IDCHEBI:152004
ChEBI NameCID 91852406
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O85
Net Charge0
Average Mass3042.740
Monoisotopic Mass3041.06344
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/7,15,14/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-5-1-4-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m6-n2
InChIInChI=1S/C115H188N8O85/c1-27-61(148)76(163)81(168)103(185-27)181-24-51-90(71(158)56(98(173)186-51)118-30(4)136)197-100-58(120-32(6)138)73(160)88(45(19-131)190-100)200-106-84(171)94(202-109-97(79(166)65(152)41(15-127)188-109)204-102-60(122-34(8)140)74(161)87(44(18-130)192-102)199-105-83(170)78(165)66(153)49(195-105)25-183-113(110(174)175)9-35(141)53(116-28(2)134)91(205-113)62(149)38(144)12-124)70(157)48(193-106)23-182-108-96(203-101-59(121-33(7)139)75(162)89(46(20-132)191-101)201-107-85(172)95(69(156)42(16-128)187-107)208-115(112(178)179)11-37(143)54(117-29(3)135)92(207-115)63(150)39(145)13-125)80(167)68(155)47(196-108)22-180-99-57(119-31(5)137)72(159)86(43(17-129)189-99)198-104-82(169)77(164)67(154)50(194-104)26-184-114(111(176)177)10-36(142)55(123-52(147)21-133)93(206-114)64(151)40(146)14-126/h27,35-51,53-109,124-133,141-146,148-173H,9-26H2,1-8H3,(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,147)(H,174,175)(H,176,177)(H,178,179)/t27-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,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+,113+,114+,115-/m0/s1
InChIKeyVVMLDBIMHCDVNZ-NIVGFVGHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852406 (CHEBI:152004) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
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