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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(d18:1/20:0)

PropertiesImage
MNX_IDMNXM29247 Image of MNXM29247
referencelipidmapsM:LMSP0601GD03
formulaC192H324N12O115
global charge0
mol weight4640.673
InChIKeyPXCHNNVATPFTRE-PDBLGOLFSA-N
InChIInChI=1S/C192H324N12O115/c1-14-16-18-20-22-24-26-28-29-30-31-33-35-37-39-41-43-45-108(242)204-82(83(233)44-42-40-38-36-34-32-27-25-23-21-19-17-15-2)67-280-176-140(263)139(262)156(104(66-221)296-176)307-177-141(264)161(124(247)92(54-209)284-177)308-172-116(200-78(10)229)135(258)152(100(62-217)292-172)302-180-144(267)164(311-175-119(203-81(13)232)138(261)155(103(65-220)295-175)306-184-148(271)168(128(251)96(58-213)288-184)319-192(188(278)279)49-87(237)112(196-74(6)225)160(315-192)123(246)91(241)53-208)131(254)107(299-180)70-282-170-114(198-76(8)227)133(256)150(98(60-215)290-170)300-178-142(265)162(309-173-117(201-79(11)230)136(259)153(101(63-218)293-173)304-182-146(269)166(126(249)94(56-211)286-182)317-190(186(274)275)47-85(235)110(194-72(4)223)158(313-190)121(244)89(239)51-206)129(252)105(297-178)68-281-169-113(197-75(7)226)132(255)149(97(59-214)289-169)301-179-143(266)163(310-174-118(202-80(12)231)137(260)154(102(64-219)294-174)305-183-147(270)167(127(250)95(57-212)287-183)318-191(187(276)277)48-86(236)111(195-73(5)224)159(314-191)122(245)90(240)52-207)130(253)106(298-179)69-283-171-115(199-77(9)228)134(257)151(99(61-216)291-171)303-181-145(268)165(125(248)93(55-210)285-181)316-189(185(272)273)46-84(234)109(193-71(3)222)157(312-189)120(243)88(238)50-205/h42,44,82-107,109-184,205-221,233-241,243-271H,14-41,43,45-70H2,1-13H3,(H,193,222)(H,194,223)(H,195,224)(H,196,225)(H,197,226)(H,198,227)(H,199,228)(H,200,229)(H,201,230)(H,202,231)(H,203,232)(H,204,242)(H,272,273)(H,274,275)(H,276,277)(H,278,279)/b44-42+/t82-,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+,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-,164-,165-,166-,167-,168-,169+,170+,171+,172-,173+,174+,175+,176+,177-,178-,179-,180-,181-,182-,183-,184-,189-,190-,191-,192-/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)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C192H324N12O115/c1-14-16-18-20-22-24-26-28-29-30-31-33-35-37-39-41-43-45-108(242)204-82(83(233)44-42-40-38-36-34-32-27-25-23-21-19-17-15-2)67-280-176-140(263)139(262)156(104(66-221)296-176)307-177-141(264)161(124(247)92(54-209)284-177)308-172-116(200-78(10)229)135(258)152(100(62-217)292-172)302-180-144(267)164(311-175-119(203-81(13)232)138(261)155(103(65-220)295-175)306-184-148(271)168(128(251)96(58-213)288-184)319-192(188(278)279)49-87(237)112(196-74(6)225)160(315-192)123(246)91(241)53-208)131(254)107(299-180)70-282-170-114(198-76(8)227)133(256)150(98(60-215)290-170)300-178-142(265)162(309-173-117(201-79(11)230)136(259)153(101(63-218)293-173)304-182-146(269)166(126(249)94(56-211)286-182)317-190(186(274)275)47-85(235)110(194-72(4)223)158(313-190)121(244)89(239)51-206)129(252)105(297-178)68-281-169-113(197-75(7)226)132(255)149(97(59-214)289-169)301-179-143(266)163(310-174-118(202-80(12)231)137(260)154(102(64-219)294-174)305-183-147(270)167(127(250)95(57-212)287-183)318-191(187(276)277)48-86(236)111(195-73(5)224)159(314-191)122(245)90(240)52-207)130(253)106(298-179)69-283-171-115(199-77(9)228)134(257)151(99(61-216)291-171)303-181-145(268)165(125(248)93(55-210)285-181)316-189(185(272)273)46-84(234)109(193-71(3)222)157(312-189)120(243)88(238)50-205/h42,44,82-107,109-184,205-221,233-241,243-271H,14-41,43,45-70H2,1-13H3,(H,193,222)(H,194,223)(H,195,224)(H,196,225)(H,197,226)(H,198,227)(H,199,228)(H,200,229)(H,201,230)(H,202,231)(H,203,232)(H,204,242)(H,272,273)(H,274,275)(H,276,277)(H,278,279)/b44-42+/t82-,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+,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-,164-,165-,166-,167-,168-,169+,170+,171+,172-,173+,174+,175+,176+,177-,178-,179-,180-,181-,182-,183-,184-,189-,190-,191-,192-/m0/s1 Image of MNXM29247
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][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:108](=[N:204][C@@H:82]([CH2:67][O:280][C@H:176]1[C@H:140]([OH:263])[C@@H:139]([OH:262])[C@H:156]([O:307][C@H:177]2[C@H:141]([OH:264])[C@@H:161]([O:308][C@H:172]3[C@H:116]([N:200]=[C:78]([CH3:10])[OH:229])[C@@H:135]([OH:258])[C@H:152]([O:302][C@H:180]4[C@H:144]([OH:267])[C@@H:164]([O:311][C@@H:175]5[C@H:119]([N:203]=[C:81]([CH3:13])[OH:232])[C@@H:138]([OH:261])[C@H:155]([O:306][C@H:184]6[C@H:148]([OH:271])[C@@H:168]([O:319][C@:192]7([C:188](=[O:278])[OH:279])[CH2:49][C@H:87]([OH:237])[C@@H:112]([N:196]=[C:74]([CH3:6])[OH:225])[C@H:160]([C@@H:123]([C@@H:91]([CH2:53][OH:208])[OH:241])[OH:246])[O:315]7)[C@@H:128]([OH:251])[C@@H:96]([CH2:58][OH:213])[O:288]6)[C@@H:103]([CH2:65][OH:220])[O:295]5)[C@@H:131]([OH:254])[C@@H:107]([CH2:70][O:282][C@H:170]5[C@H:114]([N:198]=[C:76]([CH3:8])[OH:227])[C@@H:133]([OH:256])[C@H:150]([O:300][C@H:178]6[C@H:142]([OH:265])[C@@H:162]([O:309][C@@H:173]7[C@H:117]([N:201]=[C:79]([CH3:11])[OH:230])[C@@H:136]([OH:259])[C@H:153]([O:304][C@H:182]8[C@H:146]([OH:269])[C@@H:166]([O:317][C@:190]9([C:186](=[O:274])[OH:275])[CH2:47][C@H:85]([OH:235])[C@@H:110]([N:194]=[C:72]([CH3:4])[OH:223])[C@H:158]([C@@H:121]([C@@H:89]([CH2:51][OH:206])[OH:239])[OH:244])[O:313]9)[C@@H:126]([OH:249])[C@@H:94]([CH2:56][OH:211])[O:286]8)[C@@H:101]([CH2:63][OH:218])[O:293]7)[C@@H:129]([OH:252])[C@@H:105]([CH2:68][O:281][C@H:169]7[C@H:113]([N:197]=[C:75]([CH3:7])[OH:226])[C@@H:132]([OH:255])[C@H:149]([O:301][C@H:179]8[C@H:143]([OH:266])[C@@H:163]([O:310][C@@H:174]9[C@H:118]([N:202]=[C:80]([CH3:12])[OH:231])[C@@H:137]([OH:260])[C@H:154]([O:305][C@H:183]%10[C@H:147]([OH:270])[C@@H:167]([O:318][C@:191]%11([C:187](=[O:276])[OH:277])[CH2:48][C@H:86]([OH:236])[C@@H:111]([N:195]=[C:73]([CH3:5])[OH:224])[C@H:159]([C@@H:122]([C@@H:90]([CH2:52][OH:207])[OH:240])[OH:245])[O:314]%11)[C@@H:127]([OH:250])[C@@H:95]([CH2:57][OH:212])[O:287]%10)[C@@H:102]([CH2:64][OH:219])[O:294]9)[C@@H:130]([OH:253])[C@@H:106]([CH2:69][O:283][C@H:171]9[C@H:115]([N:199]=[C:77]([CH3:9])[OH:228])[C@@H:134]([OH:257])[C@H:151]([O:303][C@H:181]%10[C@H:145]([OH:268])[C@@H:165]([O:316][C@:189]%11([C:185](=[O:272])[OH:273])[CH2:46][C@H:84]([OH:234])[C@@H:109]([N:193]=[C:71]([CH3:3])[OH:222])[C@H:157]([C@@H:120]([C@@H:88]([CH2:50][OH:205])[OH:238])[OH:243])[O:312]%11)[C@@H:125]([OH:248])[C@@H:93]([CH2:55][OH:210])[O:285]%10)[C@@H:99]([CH2:61][OH:216])[O:291]9)[O:298]8)[C@@H:97]([CH2:59][OH:214])[O:289]7)[O:297]6)[C@@H:98]([CH2:60][OH:215])[O:290]5)[O:299]4)[C@@H:100]([CH2:62][OH:217])[O:292]3)[C@@H:124]([OH:247])[C@@H:92]([CH2:54][OH:209])[O:284]2)[C@@H:104]([CH2:66][OH:221])[O:296]1)[C@@H:83](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH3:2])[OH:233])[OH:242]
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:LMSP0601GD03
lipidmapsM:LMSP0601GD03
PXCHNNVATPFTRE-PDBLGOLFSA-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(d18:1/20:0)
Hex(9)-HexNAc(7)-NeuAc(4)-Cer 38:1
O2