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NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)

PropertiesImage
MNX_IDMNXM29503 Image of MNXM29503
referencelipidmapsM:LMSP0601GD05
formulaC196H332N12O115
global charge0
mol weight4696.781
InChIKeyBJUCWVZEOABGPV-UCZMFQNDSA-N
InChIInChI=1S/C196H332N12O115/c1-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-112(246)208-86(87(237)48-46-44-42-40-38-36-27-25-23-21-19-17-15-2)71-284-180-144(267)143(266)160(108(70-225)300-180)311-181-145(268)165(128(251)96(58-213)288-181)312-176-120(204-82(10)233)139(262)156(104(66-221)296-176)306-184-148(271)168(315-179-123(207-85(13)236)142(265)159(107(69-224)299-179)310-188-152(275)172(132(255)100(62-217)292-188)323-196(192(282)283)53-91(241)116(200-78(6)229)164(319-196)127(250)95(245)57-212)135(258)111(303-184)74-286-174-118(202-80(8)231)137(260)154(102(64-219)294-174)304-182-146(269)166(313-177-121(205-83(11)234)140(263)157(105(67-222)297-177)308-186-150(273)170(130(253)98(60-215)290-186)321-194(190(278)279)51-89(239)114(198-76(4)227)162(317-194)125(248)93(243)55-210)133(256)109(301-182)72-285-173-117(201-79(7)230)136(259)153(101(63-218)293-173)305-183-147(270)167(314-178-122(206-84(12)235)141(264)158(106(68-223)298-178)309-187-151(274)171(131(254)99(61-216)291-187)322-195(191(280)281)52-90(240)115(199-77(5)228)163(318-195)126(249)94(244)56-211)134(257)110(302-183)73-287-175-119(203-81(9)232)138(261)155(103(65-220)295-175)307-185-149(272)169(129(252)97(59-214)289-185)320-193(189(276)277)50-88(238)113(197-75(3)226)161(316-193)124(247)92(242)54-209/h46,48,86-111,113-188,209-225,237-245,247-275H,14-45,47,49-74H2,1-13H3,(H,197,226)(H,198,227)(H,199,228)(H,200,229)(H,201,230)(H,202,231)(H,203,232)(H,204,233)(H,205,234)(H,206,235)(H,207,236)(H,208,246)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/b48-46+/t86-,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+,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+,164+,165-,166-,167-,168-,169-,170-,171-,172-,173+,174+,175+,176-,177+,178+,179+,180+,181-,182-,183-,184-,185-,186-,187-,188-,193-,194-,195-,196-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O%11)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O%11)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[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@]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]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C196H332N12O115/c1-14-16-18-20-22-24-26-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-112(246)208-86(87(237)48-46-44-42-40-38-36-27-25-23-21-19-17-15-2)71-284-180-144(267)143(266)160(108(70-225)300-180)311-181-145(268)165(128(251)96(58-213)288-181)312-176-120(204-82(10)233)139(262)156(104(66-221)296-176)306-184-148(271)168(315-179-123(207-85(13)236)142(265)159(107(69-224)299-179)310-188-152(275)172(132(255)100(62-217)292-188)323-196(192(282)283)53-91(241)116(200-78(6)229)164(319-196)127(250)95(245)57-212)135(258)111(303-184)74-286-174-118(202-80(8)231)137(260)154(102(64-219)294-174)304-182-146(269)166(313-177-121(205-83(11)234)140(263)157(105(67-222)297-177)308-186-150(273)170(130(253)98(60-215)290-186)321-194(190(278)279)51-89(239)114(198-76(4)227)162(317-194)125(248)93(243)55-210)133(256)109(301-182)72-285-173-117(201-79(7)230)136(259)153(101(63-218)293-173)305-183-147(270)167(314-178-122(206-84(12)235)141(264)158(106(68-223)298-178)309-187-151(274)171(131(254)99(61-216)291-187)322-195(191(280)281)52-90(240)115(199-77(5)228)163(318-195)126(249)94(244)56-211)134(257)110(302-183)73-287-175-119(203-81(9)232)138(261)155(103(65-220)295-175)307-185-149(272)169(129(252)97(59-214)289-185)320-193(189(276)277)50-88(238)113(197-75(3)226)161(316-193)124(247)92(242)54-209/h46,48,86-111,113-188,209-225,237-245,247-275H,14-45,47,49-74H2,1-13H3,(H,197,226)(H,198,227)(H,199,228)(H,200,229)(H,201,230)(H,202,231)(H,203,232)(H,204,233)(H,205,234)(H,206,235)(H,207,236)(H,208,246)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/b48-46+/t86-,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+,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+,164+,165-,166-,167-,168-,169-,170-,171-,172-,173+,174+,175+,176-,177+,178+,179+,180+,181-,182-,183-,184-,185-,186-,187-,188-,193-,194-,195-,196-/m0/s1 Image of MNXM29503
SMILES (mnx)[CH3:1][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:112](=[N:208][C@@H:86]([CH2:71][O:284][C@H:180]1[C@H:144]([OH:267])[C@@H:143]([OH:266])[C@H:160]([O:311][C@H:181]2[C@H:145]([OH:268])[C@@H:165]([O:312][C@H:176]3[C@H:120]([N:204]=[C:82]([CH3:10])[OH:233])[C@@H:139]([OH:262])[C@H:156]([O:306][C@H:184]4[C@H:148]([OH:271])[C@@H:168]([O:315][C@@H:179]5[C@H:123]([N:207]=[C:85]([CH3:13])[OH:236])[C@@H:142]([OH:265])[C@H:159]([O:310][C@H:188]6[C@H:152]([OH:275])[C@@H:172]([O:323][C@:196]7([C:192](=[O:282])[OH:283])[CH2:53][C@H:91]([OH:241])[C@@H:116]([N:200]=[C:78]([CH3:6])[OH:229])[C@H:164]([C@@H:127]([C@@H:95]([CH2:57][OH:212])[OH:245])[OH:250])[O:319]7)[C@@H:132]([OH:255])[C@@H:100]([CH2:62][OH:217])[O:292]6)[C@@H:107]([CH2:69][OH:224])[O:299]5)[C@@H:135]([OH:258])[C@@H:111]([CH2:74][O:286][C@H:174]5[C@H:118]([N:202]=[C:80]([CH3:8])[OH:231])[C@@H:137]([OH:260])[C@H:154]([O:304][C@H:182]6[C@H:146]([OH:269])[C@@H:166]([O:313][C@@H:177]7[C@H:121]([N:205]=[C:83]([CH3:11])[OH:234])[C@@H:140]([OH:263])[C@H:157]([O:308][C@H:186]8[C@H:150]([OH:273])[C@@H:170]([O:321][C@:194]9([C:190](=[O:278])[OH:279])[CH2:51][C@H:89]([OH:239])[C@@H:114]([N:198]=[C:76]([CH3:4])[OH:227])[C@H:162]([C@@H:125]([C@@H:93]([CH2:55][OH:210])[OH:243])[OH:248])[O:317]9)[C@@H:130]([OH:253])[C@@H:98]([CH2:60][OH:215])[O:290]8)[C@@H:105]([CH2:67][OH:222])[O:297]7)[C@@H:133]([OH:256])[C@@H:109]([CH2:72][O:285][C@H:173]7[C@H:117]([N:201]=[C:79]([CH3:7])[OH:230])[C@@H:136]([OH:259])[C@H:153]([O:305][C@H:183]8[C@H:147]([OH:270])[C@@H:167]([O:314][C@@H:178]9[C@H:122]([N:206]=[C:84]([CH3:12])[OH:235])[C@@H:141]([OH:264])[C@H:158]([O:309][C@H:187]%10[C@H:151]([OH:274])[C@@H:171]([O:322][C@:195]%11([C:191](=[O:280])[OH:281])[CH2:52][C@H:90]([OH:240])[C@@H:115]([N:199]=[C:77]([CH3:5])[OH:228])[C@H:163]([C@@H:126]([C@@H:94]([CH2:56][OH:211])[OH:244])[OH:249])[O:318]%11)[C@@H:131]([OH:254])[C@@H:99]([CH2:61][OH:216])[O:291]%10)[C@@H:106]([CH2:68][OH:223])[O:298]9)[C@@H:134]([OH:257])[C@@H:110]([CH2:73][O:287][C@H:175]9[C@H:119]([N:203]=[C:81]([CH3:9])[OH:232])[C@@H:138]([OH:261])[C@H:155]([O:307][C@H:185]%10[C@H:149]([OH:272])[C@@H:169]([O:320][C@:193]%11([C:189](=[O:276])[OH:277])[CH2:50][C@H:88]([OH:238])[C@@H:113]([N:197]=[C:75]([CH3:3])[OH:226])[C@H:161]([C@@H:124]([C@@H:92]([CH2:54][OH:209])[OH:242])[OH:247])[O:316]%11)[C@@H:129]([OH:252])[C@@H:97]([CH2:59][OH:214])[O:289]%10)[C@@H:103]([CH2:65][OH:220])[O:295]9)[O:302]8)[C@@H:101]([CH2:63][OH:218])[O:293]7)[O:301]6)[C@@H:102]([CH2:64][OH:219])[O:294]5)[O:303]4)[C@@H:104]([CH2:66][OH:221])[O:296]3)[C@@H:128]([OH:251])[C@@H:96]([CH2:58][OH:213])[O:288]2)[C@@H:108]([CH2:70][OH:225])[O:300]1)[C@@H:87](/[CH:48]=[CH:46]/[CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH3:2])[OH:237])[OH:246]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMSP0601GD05
lipidmapsM:LMSP0601GD05
BJUCWVZEOABGPV-UCZMFQNDSA-N 		NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-6(NeuAcbeta2-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)
Hex(9)-HexNAc(7)-NeuAc(4)-Cer 42:1
O2