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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/16:0)

PropertiesImage
MNX_IDMNXM28198 Image of MNXM28198
referenceglycosphingo:AEGQEOMECZPYQT_BMBVLPPMSA_N
formulaC122H212N6O68
global charge0
mol weight2851.012
InChIKeyAEGQEOMECZPYQT-BMBVLPPMSA-N
InChIInChI=1S/C122H212N6O68/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-56(145)55(128-70(146)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)47-171-115-94(165)91(162)104(67(46-139)184-115)191-120-95(166)105(79(150)60(39-132)179-120)192-112-73(125-52(5)142)87(158)102(65(44-137)181-112)189-122-99(170)109(83(154)69(186-122)49-173-111-72(124-51(4)141)85(156)100(63(42-135)180-111)187-118-96(167)106(80(151)61(40-133)177-118)195-116-92(163)89(160)77(148)58(37-130)175-116)194-114-75(127-54(7)144)88(159)103(66(45-138)183-114)190-121-98(169)108(82(153)68(185-121)48-172-110-71(123-50(3)140)84(155)76(147)57(36-129)174-110)193-113-74(126-53(6)143)86(157)101(64(43-136)182-113)188-119-97(168)107(81(152)62(41-134)178-119)196-117-93(164)90(161)78(149)59(38-131)176-117/h32,34,55-69,71-122,129-139,145,147-170H,8-31,33,35-49H2,1-7H3,(H,123,140)(H,124,141)(H,125,142)(H,126,143)(H,127,144)(H,128,146)/b34-32+/t55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,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-/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](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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]7O[C@H](CO)[C@@H](O)[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@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C122H212N6O68/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-56(145)55(128-70(146)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)47-171-115-94(165)91(162)104(67(46-139)184-115)191-120-95(166)105(79(150)60(39-132)179-120)192-112-73(125-52(5)142)87(158)102(65(44-137)181-112)189-122-99(170)109(83(154)69(186-122)49-173-111-72(124-51(4)141)85(156)100(63(42-135)180-111)187-118-96(167)106(80(151)61(40-133)177-118)195-116-92(163)89(160)77(148)58(37-130)175-116)194-114-75(127-54(7)144)88(159)103(66(45-138)183-114)190-121-98(169)108(82(153)68(185-121)48-172-110-71(123-50(3)140)84(155)76(147)57(36-129)174-110)193-113-74(126-53(6)143)86(157)101(64(43-136)182-113)188-119-97(168)107(81(152)62(41-134)178-119)196-117-93(164)90(161)78(149)59(38-131)176-117/h32,34,55-69,71-122,129-139,145,147-170H,8-31,33,35-49H2,1-7H3,(H,123,140)(H,124,141)(H,125,142)(H,126,143)(H,127,144)(H,128,146)/b34-32+/t55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,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-/m0/s1 Image of MNXM28198
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C@H:56]([C@H:55]([CH2:47][O:171][C@H:115]1[C@H:94]([OH:165])[C@@H:91]([OH:162])[C@H:104]([O:191][C@H:120]2[C@H:95]([OH:166])[C@@H:105]([O:192][C@H:112]3[C@H:73]([N:125]=[C:52]([CH3:5])[OH:142])[C@@H:87]([OH:158])[C@H:102]([O:189][C@H:122]4[C@H:99]([OH:170])[C@@H:109]([O:194][C@H:114]5[C@H:75]([N:127]=[C:54]([CH3:7])[OH:144])[C@@H:88]([OH:159])[C@H:103]([O:190][C@H:121]6[C@H:98]([OH:169])[C@@H:108]([O:193][C@H:113]7[C@H:74]([N:126]=[C:53]([CH3:6])[OH:143])[C@@H:86]([OH:157])[C@H:101]([O:188][C@H:119]8[C@H:97]([OH:168])[C@@H:107]([O:196][C@@H:117]9[C@H:93]([OH:164])[C@@H:90]([OH:161])[C@@H:78]([OH:149])[C@@H:59]([CH2:38][OH:131])[O:176]9)[C@@H:81]([OH:152])[C@@H:62]([CH2:41][OH:134])[O:178]8)[C@@H:64]([CH2:43][OH:136])[O:182]7)[C@@H:82]([OH:153])[C@@H:68]([CH2:48][O:172][C@H:110]7[C@H:71]([N:123]=[C:50]([CH3:3])[OH:140])[C@@H:84]([OH:155])[C@H:76]([OH:147])[C@@H:57]([CH2:36][OH:129])[O:174]7)[O:185]6)[C@@H:66]([CH2:45][OH:138])[O:183]5)[C@@H:83]([OH:154])[C@@H:69]([CH2:49][O:173][C@H:111]5[C@H:72]([N:124]=[C:51]([CH3:4])[OH:141])[C@@H:85]([OH:156])[C@H:100]([O:187][C@H:118]6[C@H:96]([OH:167])[C@@H:106]([O:195][C@@H:116]7[C@H:92]([OH:163])[C@@H:89]([OH:160])[C@@H:77]([OH:148])[C@@H:58]([CH2:37][OH:130])[O:175]7)[C@@H:80]([OH:151])[C@@H:61]([CH2:40][OH:133])[O:177]6)[C@@H:63]([CH2:42][OH:135])[O:180]5)[O:186]4)[C@@H:65]([CH2:44][OH:137])[O:181]3)[C@@H:79]([OH:150])[C@@H:60]([CH2:39][OH:132])[O:179]2)[C@@H:67]([CH2:46][OH:139])[O:184]1)[N:128]=[C:70]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:146])[OH:145]
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
glycosphingo:AEGQEOMECZPYQT_BMBVLPPMSA_N
AEGQEOMECZPYQT-BMBVLPPMSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/16:0)

lipidmaps:LMSP0505BS01
lipidmapsM:LMSP0505BS01
AEGQEOMECZPYQT-BMBVLPPMSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)
Hex(8)-HexNAc(5)-Cer 34:1
O2