EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:146911 - CID 91846391

ChEBI IDCHEBI:146911
ChEBI NameCID 91846391
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC128H213N7O91
Net Charge0
Average Mass3306.070
Monoisotopic Mass3304.22548
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@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[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@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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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@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]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=2.0/5,19,18/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-5-1-4-5-1-3-1-4-5-1-4-5-4/a4-b1_a6-s1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e3-f1_e4-g1_h3-i1_h4-j1_l2-m1_l6-p1_m3-n1_m4-o1_p3-q1_p4-r1
InChIInChI=1S/C128H213N7O91/c1-27-60(154)74(168)84(178)117(193-27)191-25-51-97(72(166)53(110(189)198-51)129-32(6)147)213-113-55(131-34(8)149)73(167)95(44(18-141)205-113)214-126-94(188)107(224-128-109(226-116-59(135-38(12)153)106(223-121-88(182)78(172)64(158)31(5)197-121)101(49(23-146)208-116)219-125-92(186)82(176)69(163)43(17-140)203-125)93(187)96(45(19-142)209-128)212-114-57(133-36(10)151)104(221-119-86(180)76(170)62(156)29(3)195-119)99(47(21-144)206-114)217-123-90(184)80(174)67(161)41(15-138)201-123)102(215-112-54(130-33(7)148)71(165)65(159)39(13-136)199-112)52(211-126)26-192-127-108(225-115-58(134-37(11)152)105(222-120-87(181)77(171)63(157)30(4)196-120)100(48(22-145)207-115)218-124-91(185)81(175)68(162)42(16-139)202-124)83(177)70(164)50(210-127)24-190-111-56(132-35(9)150)103(220-118-85(179)75(169)61(155)28(2)194-118)98(46(20-143)204-111)216-122-89(183)79(173)66(160)40(14-137)200-122/h27-31,39-128,136-146,154-189H,13-26H2,1-12H3,(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)/t27-,28-,29-,30-,31-,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-,115-,116-,117+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+/m0/s1
InChIKeyMRAHRNUXFMUNIY-GCJWJTBOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846391 (CHEBI:146911) 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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)][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-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[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)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G08896ROGlyTouCan
G08896ROGlyGen