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CHEBI:148679 - CID 91847754

ChEBI IDCHEBI:148679
ChEBI NameCID 91847754
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC165H272N12O119
Net Charge0
Average Mass4327.956
Monoisotopic Mass4325.56014
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@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O[C@@H]%14O[C@H](CO)[C@@H](O[C@@H]%15O[C@H](CO)[C@H](O)[C@H](O)[C@H]%15O)[C@H](O)[C@H]%14NC(C)=O)[C@H]%13O)[C@H](O)[C@H]%12NC(C)=O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[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](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](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]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]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](CO)O[C@H]1O
WURCSWURCS=2.0/5,23,22/[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]/1-1-2-3-1-4-1-4-5-1-3-1-4-1-4-1-4-1-4-1-4-1-4/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_e4-f1_f3-g1_g4-h1_h6-i2_k2-l1_l4-m1_m3-n1_n4-o1_o3-p1_p4-q1_q3-r1_r4-s1_s3-t1_t4-u1_u3-v1_v4-w1
InChIInChI=1S/C165H272N12O119/c1-37(199)166-73-49(211)13-165(164(250)251,296-132(73)85(213)50(212)14-178)253-36-71-90(218)109(237)113(241)154(274-71)278-123-63(27-191)267-146(78(101(123)229)171-42(6)204)288-134-92(220)59(23-187)262-160(118(134)246)284-129-70(34-198)273-152(84(107(129)235)177-48(12)210)295-141-111(239)89(217)54(18-182)264-163(141)293-139-120(248)161(285-130-64(28-192)265-144(76(99(130)227)169-40(4)202)276-121-61(25-189)254-142(249)74(98(121)226)167-38(2)200)275-72(131(139)286-143-75(168-39(3)201)97(225)86(214)51(15-179)255-143)35-252-162-140(110(238)88(216)53(17-181)263-162)294-151-83(176-47(11)209)106(234)128(69(33-197)272-151)283-159-119(247)138(96(224)60(24-188)261-159)292-150-82(175-46(10)208)105(233)127(68(32-196)271-150)282-158-117(245)137(95(223)58(22-186)260-158)291-149-81(174-45(9)207)104(232)126(67(31-195)270-149)281-157-116(244)136(94(222)57(21-185)259-157)290-148-80(173-44(8)206)103(231)125(66(30-194)269-148)280-156-115(243)135(93(221)56(20-184)258-156)289-147-79(172-43(7)205)102(230)124(65(29-193)268-147)279-155-114(242)133(91(219)55(19-183)257-155)287-145-77(170-41(5)203)100(228)122(62(26-190)266-145)277-153-112(240)108(236)87(215)52(16-180)256-153/h49-163,178-198,211-249H,13-36H2,1-12H3,(H,166,199)(H,167,200)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,206)(H,174,207)(H,175,208)(H,176,209)(H,177,210)(H,250,251)/t49-,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+,129+,130+,131+,132+,133-,134-,135-,136-,137-,138-,139+,140-,141-,142+,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163+,165+/m0/s1
InChIKeyCCQGUGMVGVOROJ-WWYKWPMVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847754 (CHEBI:148679) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)][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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G23577TYGlyTouCan
G23577TYGlyGen