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CHEBI:150371 - CID 91858133

ChEBI IDCHEBI:150371
ChEBI NameCID 91858133
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC99H164N6O72
Net Charge0
Average Mass2590.371
Monoisotopic Mass2588.93560
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](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](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(C)=O)[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]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[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](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-6-2-6-7/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1_k3-l1_l4-m1_m6-n2
InChIInChI=1S/C99H164N6O72/c1-22-49(124)61(136)67(142)90(153-22)171-79-48(105-29(8)121)89(163-39(18-114)76(79)169-92-69(144)63(138)52(127)32(11-107)156-92)176-84-66(141)54(129)34(13-109)159-97(84)174-82-57(132)41(164-95(72(82)147)168-75-38(17-113)160-86(45(59(75)134)102-26(5)118)166-73-36(15-111)155-85(148)44(58(73)133)101-25(4)117)20-151-96-83(65(140)53(128)33(12-108)158-96)175-88-47(104-28(7)120)80(172-91-68(143)62(137)50(125)23(2)154-91)77(40(19-115)162-88)170-94-71(146)81(56(131)35(14-110)157-94)173-87-46(103-27(6)119)60(135)74(37(16-112)161-87)167-93-70(145)64(139)55(130)42(165-93)21-152-99(98(149)150)9-30(122)43(100-24(3)116)78(177-99)51(126)31(123)10-106/h22-23,30-97,106-115,122-148H,9-21H2,1-8H3,(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,149,150)/t22-,23-,30-,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+,99+/m0/s1
InChIKeyNCOZNMRCSKQRJD-XYBAWAQZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858133 (CHEBI:150371) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G38849GMGlyTouCan
G38849GMGlyGen