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Ganglioside GP1c alpha (d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))

PropertiesImage
MNX_IDMNXM524520 Image of MNXM524520
referenceslm:000486092
formulaC129H208N7O63
global charge-5
mol weight2865.069
InChIKeyLLZUABCTVLCCEA-IVSMJGRBSA-I
InChIInChI=1S/C129H213N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-88(160)136-72(73(151)49-47-45-43-41-39-37-22-20-18-16-14-12-10-2)64-182-117-103(169)102(168)106(85(62-143)185-117)188-119-105(171)115(199-129(124(180)181)55-78(156)93(134-70(7)149)113(197-129)100(166)84(61-142)192-127(122(176)177)53-76(154)92(133-69(6)148)112(196-127)99(165)83(60-141)191-126(121(174)175)52-75(153)90(131-67(4)146)110(194-126)96(162)80(158)57-138)107(86(63-144)186-119)189-116-94(135-71(8)150)108(101(167)87(187-116)65-183-125(120(172)173)51-74(152)89(130-66(3)145)109(193-125)95(161)79(157)56-137)190-118-104(170)114(98(164)82(59-140)184-118)198-128(123(178)179)54-77(155)91(132-68(5)147)111(195-128)97(163)81(159)58-139/h11,13,17,19,23-24,26-27,29-30,47,49,72-87,89-119,137-144,151-159,161-171H,9-10,12,14-16,18,20-22,25,28,31-46,48,50-65H2,1-8H3,(H,130,145)(H,131,146)(H,132,147)(H,133,148)(H,134,149)(H,135,150)(H,136,160)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)/p-5/b13-11-,19-17-,24-23-,27-26-,30-29-,49-47+/t72-,73+,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,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-,125+,126+,127+,128-,129-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/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]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/C129H213N7O63/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-88(160)136-72(73(151)49-47-45-43-41-39-37-22-20-18-16-14-12-10-2)64-182-117-103(169)102(168)106(85(62-143)185-117)188-119-105(171)115(199-129(124(180)181)55-78(156)93(134-70(7)149)113(197-129)100(166)84(61-142)192-127(122(176)177)53-76(154)92(133-69(6)148)112(196-127)99(165)83(60-141)191-126(121(174)175)52-75(153)90(131-67(4)146)110(194-126)96(162)80(158)57-138)107(86(63-144)186-119)189-116-94(135-71(8)150)108(101(167)87(187-116)65-183-125(120(172)173)51-74(152)89(130-66(3)145)109(193-125)95(161)79(157)56-137)190-118-104(170)114(98(164)82(59-140)184-118)198-128(123(178)179)54-77(155)91(132-68(5)147)111(195-128)97(163)81(159)58-139/h11,13,17,19,23-24,26-27,29-30,47,49,72-87,89-119,137-144,151-159,161-171H,9-10,12,14-16,18,20-22,25,28,31-46,48,50-65H2,1-8H3,(H,130,145)(H,131,146)(H,132,147)(H,133,148)(H,134,149)(H,135,150)(H,136,160)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)/b13-11-,19-17-,24-23-,27-26-,30-29-,49-47+/t72-,73+,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,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-,125+,126+,127+,128-,129-/m0/s1 Image of MNXM524520
SMILES (mnx)[CH3:1][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:88](=[N:136][C@@H:72]([CH2:64][O:182][C@H:117]1[C@H:103]([OH:169])[C@@H:102]([OH:168])[C@H:106]([O:188][C@H:119]2[C@H:105]([OH:171])[C@@H:115]([O:199][C@:129]3([C:124](=[O:180])[OH:181])[CH2:55][C@H:78]([OH:156])[C@@H:93]([N:134]=[C:70]([CH3:7])[OH:149])[C@H:113]([C@@H:100]([C@@H:84]([CH2:61][OH:142])[O:192][C@:127]4([C:122](=[O:176])[OH:177])[CH2:53][C@H:76]([OH:154])[C@@H:92]([N:133]=[C:69]([CH3:6])[OH:148])[C@H:112]([C@@H:99]([C@@H:83]([CH2:60][OH:141])[O:191][C@:126]5([C:121](=[O:174])[OH:175])[CH2:52][C@H:75]([OH:153])[C@@H:90]([N:131]=[C:67]([CH3:4])[OH:146])[C@H:110]([C@@H:96]([C@@H:80]([CH2:57][OH:138])[OH:158])[OH:162])[O:194]5)[OH:165])[O:196]4)[OH:166])[O:197]3)[C@@H:107]([O:189][C@H:116]3[C@H:94]([N:135]=[C:71]([CH3:8])[OH:150])[C@@H:108]([O:190][C@H:118]4[C@H:104]([OH:170])[C@@H:114]([O:198][C@:128]5([C:123](=[O:178])[OH:179])[CH2:54][C@H:77]([OH:155])[C@@H:91]([N:132]=[C:68]([CH3:5])[OH:147])[C@H:111]([C@@H:97]([C@@H:81]([CH2:58][OH:139])[OH:159])[OH:163])[O:195]5)[C@@H:98]([OH:164])[C@@H:82]([CH2:59][OH:140])[O:184]4)[C@@H:101]([OH:167])[C@@H:87]([CH2:65][O:183][C@:125]4([C:120](=[O:172])[OH:173])[CH2:51][C@H:74]([OH:152])[C@@H:89]([N:130]=[C:66]([CH3:3])[OH:145])[C@H:109]([C@@H:95]([C@@H:79]([CH2:56][OH:137])[OH:157])[OH:161])[O:193]4)[O:187]3)[C@@H:86]([CH2:63][OH:144])[O:186]2)[C@@H:85]([CH2:62][OH:143])[O:185]1)[C@@H:73](/[CH:49]=[CH:47]/[CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:151])[OH:160]
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:000486092
slm:000486092
LLZUABCTVLCCEA-IVSMJGRBSA-I 		Ganglioside GP1c alpha (d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))
GP1c alpha(d18:1(4E)/30:5(15Z,18Z,21Z,24Z,27Z))
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-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-sphing-4-enine