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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

PropertiesImage
MNX_IDMNXM27596 Image of MNXM27596
referencelipidmapsM:LMSP0505ED08
formulaC116H204N4O57
global charge0
mol weight2566.879
InChIKeyFKYSPIXYIIUPPI-NIFNCARTSA-N
InChIInChI=1S/C116H204N4O57/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(134)120-60(61(133)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)54-156-109-93(152)89(148)100(70(53-129)167-109)171-114-94(153)101(79(138)64(47-123)162-114)173-107-74(118-58(5)131)85(144)98(69(52-128)165-107)170-115-96(155)103(174-108-75(119-59(6)132)84(143)97(68(51-127)166-108)169-113-95(154)102(80(139)65(48-124)161-113)175-111-91(150)87(146)77(136)62(45-121)159-111)82(141)71(168-115)55-157-106-73(117-57(4)130)83(142)99(67(50-126)164-106)172-116-105(177-110-90(149)86(145)76(135)56(3)158-110)104(81(140)66(49-125)163-116)176-112-92(151)88(147)78(137)63(46-122)160-112/h21-22,41,43,56,60-71,73-116,121-129,133,135-155H,7-20,23-40,42,44-55H2,1-6H3,(H,117,130)(H,118,131)(H,119,132)(H,120,134)/b22-21-,43-41+/t56-,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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+/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=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]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]6O[C@H](C)[C@@H](O)[C@@H](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@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]4O)[C@H](O)[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/C116H204N4O57/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(134)120-60(61(133)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)54-156-109-93(152)89(148)100(70(53-129)167-109)171-114-94(153)101(79(138)64(47-123)162-114)173-107-74(118-58(5)131)85(144)98(69(52-128)165-107)170-115-96(155)103(174-108-75(119-59(6)132)84(143)97(68(51-127)166-108)169-113-95(154)102(80(139)65(48-124)161-113)175-111-91(150)87(146)77(136)62(45-121)159-111)82(141)71(168-115)55-157-106-73(117-57(4)130)83(142)99(67(50-126)164-106)172-116-105(177-110-90(149)86(145)76(135)56(3)158-110)104(81(140)66(49-125)163-116)176-112-92(151)88(147)78(137)63(46-122)160-112/h21-22,41,43,56,60-71,73-116,121-129,133,135-155H,7-20,23-40,42,44-55H2,1-6H3,(H,117,130)(H,118,131)(H,119,132)(H,120,134)/b22-21-,43-41+/t56-,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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+/m1/s1 Image of MNXM27596
SMILES (mnx)[CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:72](=[N:120][C@@H:60]([CH2:54][O:156][C@H:109]1[C@H:93]([OH:152])[C@@H:89]([OH:148])[C@H:100]([O:171][C@H:114]2[C@H:94]([OH:153])[C@@H:101]([O:173][C@H:107]3[C@H:74]([N:118]=[C:58]([CH3:5])[OH:131])[C@@H:85]([OH:144])[C@H:98]([O:170][C@H:115]4[C@H:96]([OH:155])[C@@H:103]([O:174][C@H:108]5[C@H:75]([N:119]=[C:59]([CH3:6])[OH:132])[C@@H:84]([OH:143])[C@H:97]([O:169][C@H:113]6[C@H:95]([OH:154])[C@@H:102]([O:175][C@@H:111]7[C@H:91]([OH:150])[C@@H:87]([OH:146])[C@@H:77]([OH:136])[C@@H:62]([CH2:45][OH:121])[O:159]7)[C@@H:80]([OH:139])[C@@H:65]([CH2:48][OH:124])[O:161]6)[C@@H:68]([CH2:51][OH:127])[O:166]5)[C@@H:82]([OH:141])[C@@H:71]([CH2:55][O:157][C@H:106]5[C@H:73]([N:117]=[C:57]([CH3:4])[OH:130])[C@@H:83]([OH:142])[C@H:99]([O:172][C@H:116]6[C@H:105]([O:177][C@@H:110]7[C@@H:90]([OH:149])[C@H:86]([OH:145])[C@H:76]([OH:135])[C@@H:56]([CH3:3])[O:158]7)[C@@H:104]([O:176][C@@H:112]7[C@H:92]([OH:151])[C@@H:88]([OH:147])[C@@H:78]([OH:137])[C@@H:63]([CH2:46][OH:122])[O:160]7)[C@@H:81]([OH:140])[C@@H:66]([CH2:49][OH:125])[O:163]6)[C@@H:67]([CH2:50][OH:126])[O:164]5)[O:168]4)[C@@H:69]([CH2:52][OH:128])[O:165]3)[C@@H:79]([OH:138])[C@@H:64]([CH2:47][OH:123])[O:162]2)[C@@H:70]([CH2:53][OH:129])[O:167]1)[C@@H:61](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:133])[OH:134]
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:LMSP0505ED08
lipidmapsM:LMSP0505ED08
FKYSPIXYIIUPPI-NIFNCARTSA-N
Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))
Hex(7)-HexNAc(3)-Fuc-Cer 44:2
O2