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Ganglioside GP1c alpha (d18:1(4E)/18:1(6Z))

PropertiesImage
MNX_IDMNXM524473 Image of MNXM524473
referenceslm:000486137
formulaC117H192N7O63
global charge-5
mol weight2704.809
InChIKeyKHXVYVSHJUXIQE-NIDPIJIHSA-I
InChIInChI=1S/C117H197N7O63/c1-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-76(148)124-60(61(139)37-35-33-31-29-27-25-22-20-18-16-14-12-10-2)52-170-105-91(157)90(156)94(73(50-131)173-105)176-107-93(159)103(187-117(112(168)169)43-66(144)81(122-58(7)137)101(185-117)88(154)72(49-130)180-115(110(164)165)41-64(142)80(121-57(6)136)100(184-115)87(153)71(48-129)179-114(109(162)163)40-63(141)78(119-55(4)134)98(182-114)84(150)68(146)45-126)95(74(51-132)174-107)177-104-82(123-59(8)138)96(89(155)75(175-104)53-171-113(108(160)161)39-62(140)77(118-54(3)133)97(181-113)83(149)67(145)44-125)178-106-92(158)102(86(152)70(47-128)172-106)186-116(111(166)167)42-65(143)79(120-56(5)135)99(183-116)85(151)69(147)46-127/h28,30,35,37,60-75,77-107,125-132,139-147,149-159H,9-27,29,31-34,36,38-53H2,1-8H3,(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,137)(H,123,138)(H,124,148)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)/p-5/b30-28-,37-35+/t60-,61+,62-,63-,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-,113+,114+,115+,116-,117-/m0/s1
SMILESCCCCCCCCCCC/C=C\CCCCC(=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]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C117H197N7O63/c1-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-76(148)124-60(61(139)37-35-33-31-29-27-25-22-20-18-16-14-12-10-2)52-170-105-91(157)90(156)94(73(50-131)173-105)176-107-93(159)103(187-117(112(168)169)43-66(144)81(122-58(7)137)101(185-117)88(154)72(49-130)180-115(110(164)165)41-64(142)80(121-57(6)136)100(184-115)87(153)71(48-129)179-114(109(162)163)40-63(141)78(119-55(4)134)98(182-114)84(150)68(146)45-126)95(74(51-132)174-107)177-104-82(123-59(8)138)96(89(155)75(175-104)53-171-113(108(160)161)39-62(140)77(118-54(3)133)97(181-113)83(149)67(145)44-125)178-106-92(158)102(86(152)70(47-128)172-106)186-116(111(166)167)42-65(143)79(120-56(5)135)99(183-116)85(151)69(147)46-127/h28,30,35,37,60-75,77-107,125-132,139-147,149-159H,9-27,29,31-34,36,38-53H2,1-8H3,(H,118,133)(H,119,134)(H,120,135)(H,121,136)(H,122,137)(H,123,138)(H,124,148)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)/b30-28-,37-35+/t60-,61+,62-,63-,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-,113+,114+,115+,116-,117-/m0/s1 Image of MNXM524473
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][C:76](=[N:124][C@@H:60]([CH2:52][O:170][C@H:105]1[C@H:91]([OH:157])[C@@H:90]([OH:156])[C@H:94]([O:176][C@H:107]2[C@H:93]([OH:159])[C@@H:103]([O:187][C@:117]3([C:112](=[O:168])[OH:169])[CH2:43][C@H:66]([OH:144])[C@@H:81]([N:122]=[C:58]([CH3:7])[OH:137])[C@H:101]([C@@H:88]([C@@H:72]([CH2:49][OH:130])[O:180][C@:115]4([C:110](=[O:164])[OH:165])[CH2:41][C@H:64]([OH:142])[C@@H:80]([N:121]=[C:57]([CH3:6])[OH:136])[C@H:100]([C@@H:87]([C@@H:71]([CH2:48][OH:129])[O:179][C@:114]5([C:109](=[O:162])[OH:163])[CH2:40][C@H:63]([OH:141])[C@@H:78]([N:119]=[C:55]([CH3:4])[OH:134])[C@H:98]([C@@H:84]([C@@H:68]([CH2:45][OH:126])[OH:146])[OH:150])[O:182]5)[OH:153])[O:184]4)[OH:154])[O:185]3)[C@@H:95]([O:177][C@H:104]3[C@H:82]([N:123]=[C:59]([CH3:8])[OH:138])[C@@H:96]([O:178][C@H:106]4[C@H:92]([OH:158])[C@@H:102]([O:186][C@:116]5([C:111](=[O:166])[OH:167])[CH2:42][C@H:65]([OH:143])[C@@H:79]([N:120]=[C:56]([CH3:5])[OH:135])[C@H:99]([C@@H:85]([C@@H:69]([CH2:46][OH:127])[OH:147])[OH:151])[O:183]5)[C@@H:86]([OH:152])[C@@H:70]([CH2:47][OH:128])[O:172]4)[C@@H:89]([OH:155])[C@@H:75]([CH2:53][O:171][C@:113]4([C:108](=[O:160])[OH:161])[CH2:39][C@H:62]([OH:140])[C@@H:77]([N:118]=[C:54]([CH3:3])[OH:133])[C@H:97]([C@@H:83]([C@@H:67]([CH2:44][OH:125])[OH:145])[OH:149])[O:181]4)[O:175]3)[C@@H:74]([CH2:51][OH:132])[O:174]2)[C@@H:73]([CH2:50][OH:131])[O:173]1)[C@@H:61](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:139])[OH:148]
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

SLM:000486137
slm:000486137
KHXVYVSHJUXIQE-NIDPIJIHSA-I 		Ganglioside GP1c alpha (d18:1(4E)/18:1(6Z))
GP1c alpha(d18:1(4E)/18:1(6Z))
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(6Z-octadecenoyl)-sphing-4-enine