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CHEBI:154651 - CID 91860249

ChEBI IDCHEBI:154651
ChEBI NameCID 91860249
Stars
Last Modified10 February 2025
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O82
Net Charge0
Average Mass2912.597
Monoisotopic Mass2911.00045
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](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(=O)CO)[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]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]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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/6,14,13/[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]/1-1-2-3-1-4-5-1-4-6-3-1-4-6/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i6-j2_k2-l1_l4-m1_m3-n2
InChIInChI=1S/C109H178N8O82/c1-26(132)110-51-33(139)8-108(105(169)170,196-85(51)59(146)35(141)10-118)198-89-64(151)39(14-122)176-100(77(89)164)191-83-45(20-128)182-97(58(71(83)158)115-31(6)137)194-92-75(162)84(187-95-56(113-29(4)135)68(155)80(42(17-125)180-95)188-98-74(161)72(159)63(150)48(185-98)25-174-107(104(167)168)7-32(138)52(116-49(144)22-130)86(195-107)60(147)36(142)11-119)46(21-129)183-103(92)192-88-66(153)47(184-99(76(88)163)189-81-43(18-126)179-94(55(69(81)156)112-28(3)134)186-79-41(16-124)175-93(166)54(67(79)154)111-27(2)133)24-173-102-91(73(160)62(149)38(13-121)178-102)193-96-57(114-30(5)136)70(157)82(44(19-127)181-96)190-101-78(165)90(65(152)40(15-123)177-101)199-109(106(171)172)9-34(140)53(117-50(145)23-131)87(197-109)61(148)37(143)12-120/h32-48,51-103,118-131,138-143,146-166H,7-25H2,1-6H3,(H,110,132)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,144)(H,117,145)(H,167,168)(H,169,170)(H,171,172)/t32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,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+,107+,108-,109-/m0/s1
InChIKeyVRRJHGHLKIAPQY-IGDQOYAGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860249 (CHEBI:154651) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→2)-[3,5-dideoxy-5-glycolamido-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→6)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)]-α-D-manno-hexopyranosyl-(1→3)-[3,5-dideoxy-5-glycolamido-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→2)-α-D-manno-hexopyranosyl-(1→6)]-β-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G86704VDGlyTouCan
G86704VDGlyGen