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CHEBI:154592 - CID 71298004

Default Structure
ChEBI IDCHEBI:154592
ChEBI NameCID 71298004
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H173N7O76
Net Charge0
Average Mass2737.501
Monoisotopic Mass2735.98876
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O)[C@@H]3O)O[C@H](CO[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,15,14/[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]/1-2-3-4-2-5-2-5-4-2-5-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-i1_d4-e1_d6-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1_m3-n1_n4-o1
InChIInChI=1S/C104H173N7O76/c1-23(124)105-45-59(138)79(35(13-117)162-90(45)158)177-93-48(108-26(4)127)63(142)85(41(19-123)170-93)184-103-78(157)88(186-101-76(155)71(150)86(178-94-49(109-27(5)128)62(141)82(38(16-120)171-94)180-98-73(152)67(146)53(132)31(9-113)164-98)44(176-101)22-160-92-47(107-25(3)126)60(139)80(36(14-118)169-92)179-97-72(151)66(145)52(131)30(8-112)163-97)58(137)43(174-103)21-161-104-89(187-96-51(111-29(7)130)65(144)84(40(18-122)173-96)182-100-75(154)69(148)55(134)33(11-115)166-100)70(149)56(135)42(175-104)20-159-91-46(106-24(2)125)61(140)81(37(15-119)168-91)183-102-77(156)87(57(136)34(12-116)167-102)185-95-50(110-28(6)129)64(143)83(39(17-121)172-95)181-99-74(153)68(147)54(133)32(10-114)165-99/h30-104,112-123,131-158H,8-22H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)/t30-,31-,32-,33-,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+/m1/s1
InChIKeyJOUASZLPBLISLX-GLPCMFTISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298004 (CHEBI:154592) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-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->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
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