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CHEBI:153999 - CID 91848355

ChEBI IDCHEBI:153999
ChEBI NameCID 91848355
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H165N9O73
Net Charge0
Average Mass2685.432
Monoisotopic Mass2683.94756
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[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](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O
WURCSWURCS=2.0/4,12,11/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-3-2-4-4-4-4/a3-b1_a6-l2_b4-c1_c3-d1_c6-k2_d4-e1_e3-f1_e6-j2_f4-g1_g3-h1_g6-i2
InChIInChI=1S/C102H165N9O73/c1-26(120)103-51-35(129)10-99(95(154)155,181-80(51)60(137)39(133)14-112)162-22-47-65(142)79(59(87(153)166-47)111-34(9)128)177-89-56(108-31(6)125)70(147)76(44(19-117)168-89)174-93-74(151)85(67(144)49(172-93)24-164-101(97(158)159)12-37(131)53(105-28(3)122)82(183-101)62(139)41(135)16-114)179-91-58(110-33(8)127)72(149)78(46(21-119)170-91)176-94-75(152)86(68(145)50(173-94)25-165-102(98(160)161)13-38(132)54(106-29(4)123)83(184-102)63(140)42(136)17-115)180-90-57(109-32(7)126)71(148)77(45(20-118)169-90)175-92-73(150)84(178-88-55(107-30(5)124)69(146)64(141)43(18-116)167-88)66(143)48(171-92)23-163-100(96(156)157)11-36(130)52(104-27(2)121)81(182-100)61(138)40(134)15-113/h35-94,112-119,129-153H,10-25H2,1-9H3,(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,154,155)(H,156,157)(H,158,159)(H,160,161)/t35-,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-,99+,100+,101+,102+/m0/s1
InChIKeyBBPLFSGDNIHFRV-PJLKTFIVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848355 (CHEBI:153999) is a polysaccharide (CHEBI:18154)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[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)-[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)-[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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G78333MHGlyGen
G78333MHGlyTouCan