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X4 ganglioside(d18:1/24:1(15Z))

PropertiesImage
MNX_IDMNXM28576 Image of MNXM28576
referencelipidmapsM:LMSP0601FW07
formulaC125H217N5O63
global charge0
mol weight2798.083
InChIKeyUUSYCOWHQZUFOJ-DTTZWQIKSA-N
InChIInChI=1S/C125H217N5O63/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-76(147)130-64(65(144)44-42-40-38-36-34-32-23-21-19-17-15-13-11-2)56-170-116-96(163)92(159)101(72(52-136)181-116)182-120-97(164)109(85(152)68(48-132)174-120)189-113-78(127-61(7)141)106(186-117-93(160)89(156)81(148)57(3)171-117)102(73(53-137)178-113)183-121-98(165)110(86(153)69(49-133)175-121)190-114-79(128-62(8)142)107(187-118-94(161)90(157)82(149)58(4)172-118)103(74(54-138)179-114)184-122-99(166)111(87(154)70(50-134)176-122)191-115-80(129-63(9)143)108(188-119-95(162)91(158)83(150)59(5)173-119)104(75(55-139)180-115)185-123-100(167)112(88(155)71(51-135)177-123)193-125(124(168)169)46-66(145)77(126-60(6)140)105(192-125)84(151)67(146)47-131/h24-25,42,44,57-59,64-75,77-123,131-139,144-146,148-167H,10-23,26-41,43,45-56H2,1-9H3,(H,126,140)(H,127,141)(H,128,142)(H,129,143)(H,130,147)(H,168,169)/b25-24-,44-42+/t57-,58-,59-,64+,65-,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,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+,125+/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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](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@@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]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[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]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C125H217N5O63/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-76(147)130-64(65(144)44-42-40-38-36-34-32-23-21-19-17-15-13-11-2)56-170-116-96(163)92(159)101(72(52-136)181-116)182-120-97(164)109(85(152)68(48-132)174-120)189-113-78(127-61(7)141)106(186-117-93(160)89(156)81(148)57(3)171-117)102(73(53-137)178-113)183-121-98(165)110(86(153)69(49-133)175-121)190-114-79(128-62(8)142)107(187-118-94(161)90(157)82(149)58(4)172-118)103(74(54-138)179-114)184-122-99(166)111(87(154)70(50-134)176-122)191-115-80(129-63(9)143)108(188-119-95(162)91(158)83(150)59(5)173-119)104(75(55-139)180-115)185-123-100(167)112(88(155)71(51-135)177-123)193-125(124(168)169)46-66(145)77(126-60(6)140)105(192-125)84(151)67(146)47-131/h24-25,42,44,57-59,64-75,77-123,131-139,144-146,148-167H,10-23,26-41,43,45-56H2,1-9H3,(H,126,140)(H,127,141)(H,128,142)(H,129,143)(H,130,147)(H,168,169)/b25-24-,44-42+/t57-,58-,59-,64+,65-,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,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+,125+/m1/s1 Image of MNXM28576
SMILES (mnx)[CH3:1][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:76](=[N:130][C@@H:64]([CH2:56][O:170][C@H:116]1[C@H:96]([OH:163])[C@@H:92]([OH:159])[C@H:101]([O:182][C@H:120]2[C@H:97]([OH:164])[C@@H:109]([O:189][C@H:113]3[C@H:78]([N:127]=[C:61]([CH3:7])[OH:141])[C@@H:106]([O:186][C@@H:117]4[C@@H:93]([OH:160])[C@H:89]([OH:156])[C@H:81]([OH:148])[C@@H:57]([CH3:3])[O:171]4)[C@H:102]([O:183][C@H:121]4[C@H:98]([OH:165])[C@@H:110]([O:190][C@H:114]5[C@H:79]([N:128]=[C:62]([CH3:8])[OH:142])[C@@H:107]([O:187][C@@H:118]6[C@@H:94]([OH:161])[C@H:90]([OH:157])[C@H:82]([OH:149])[C@@H:58]([CH3:4])[O:172]6)[C@H:103]([O:184][C@H:122]6[C@H:99]([OH:166])[C@@H:111]([O:191][C@H:115]7[C@H:80]([N:129]=[C:63]([CH3:9])[OH:143])[C@@H:108]([O:188][C@@H:119]8[C@@H:95]([OH:162])[C@H:91]([OH:158])[C@H:83]([OH:150])[C@@H:59]([CH3:5])[O:173]8)[C@H:104]([O:185][C@H:123]8[C@H:100]([OH:167])[C@@H:112]([O:193][C@:125]9([C:124](=[O:168])[OH:169])[CH2:46][C@H:66]([OH:145])[C@@H:77]([N:126]=[C:60]([CH3:6])[OH:140])[C@H:105]([C@@H:84]([C@@H:67]([CH2:47][OH:131])[OH:146])[OH:151])[O:192]9)[C@@H:88]([OH:155])[C@@H:71]([CH2:51][OH:135])[O:177]8)[C@@H:75]([CH2:55][OH:139])[O:180]7)[C@@H:87]([OH:154])[C@@H:70]([CH2:50][OH:134])[O:176]6)[C@@H:74]([CH2:54][OH:138])[O:179]5)[C@@H:86]([OH:153])[C@@H:69]([CH2:49][OH:133])[O:175]4)[C@@H:73]([CH2:53][OH:137])[O:178]3)[C@@H:85]([OH:152])[C@@H:68]([CH2:48][OH:132])[O:174]2)[C@@H:72]([CH2:52][OH:136])[O:181]1)[C@@H:65](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH3:2])[OH:144])[OH:147]
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:LMSP0601FW07
lipidmapsM:LMSP0601FW07
UUSYCOWHQZUFOJ-DTTZWQIKSA-N 		X4 ganglioside(d18:1/24:1(15Z))
Hex(5)-HexNAc(3)-Fuc(3)-NeuAc-Cer 42:2
NeuAcalpha2-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
O2