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CHEBI:152862 - CID 91847547

ChEBI IDCHEBI:152862
ChEBI NameCID 91847547
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H180N8O88S3
Net Charge0
Average Mass3106.808
Monoisotopic Mass3104.90180
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)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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]4O)[C@H](O)[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](OS(=O)(=O)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](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,15,14/[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5-2-5-4-2-5-2-6-7-8/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1_m3-n2_m4-o1
InChIInChI=1S/C109H180N8O88S3/c1-25(131)110-49-33(139)9-109(108(163)164,201-86(49)57(141)34(140)10-118)202-91-77(161)105(186-46(22-130)85(91)197-96-51(112-27(3)133)64(148)58(142)35(11-119)177-96)196-79-40(16-124)181-95(52(66(79)150)113-28(4)134)174-23-47-59(143)71(155)92(199-99-55(116-31(7)137)69(153)82(43(19-127)184-99)194-103-75(159)89(204-207(168,169)170)61(145)37(13-121)179-103)106(189-47)175-24-48-63(147)87(73(157)101(188-48)192-80-41(17-125)182-97(53(67(80)151)114-29(5)135)190-78-39(15-123)176-94(162)50(65(78)149)111-26(2)132)198-107-93(200-100-56(117-32(8)138)70(154)83(44(20-128)185-100)195-104-76(160)90(205-208(171,172)173)62(146)38(14-122)180-104)72(156)84(45(21-129)187-107)191-98-54(115-30(6)136)68(152)81(42(18-126)183-98)193-102-74(158)88(203-206(165,166)167)60(144)36(12-120)178-102/h33-107,118-130,139-162H,9-24H2,1-8H3,(H,110,131)(H,111,132)(H,112,133)(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)(H,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)/t33-,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+,109-/m0/s1
InChIKeyCVESFBJVFPYTLP-NPEANRIJSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847547 (CHEBI:152862) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G64398GRGlyGen
G64398GRGlyTouCan