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GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

PropertiesImage
MNX_IDMNXM25033 Image of MNXM25033
referencelipidmapsM:LMSP0505CR07
formulaC124H216N6O61
global charge0
mol weight2767.073
InChIKeyWPBOSBLOSANODC-YQJWCRLISA-N
InChIInChI=1S/C124H216N6O61/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-76(146)130-64(65(145)44-42-40-38-36-34-32-23-21-19-17-15-13-11-2)55-168-118-100(165)97(162)106(74(54-139)180-118)183-121-101(166)107(86(151)68(48-133)174-121)186-116-80(128-62(8)143)93(158)103(72(52-137)178-116)182-122-102(167)108(187-117-81(129-63(9)144)94(159)105(73(53-138)179-117)185-124-112(191-120-99(164)96(161)83(148)58(4)171-120)110(88(153)70(50-135)176-124)189-115-78(126-60(6)141)91(156)85(150)67(47-132)173-115)89(154)75(181-122)56-169-113-79(127-61(7)142)92(157)104(71(51-136)177-113)184-123-111(190-119-98(163)95(160)82(147)57(3)170-119)109(87(152)69(49-134)175-123)188-114-77(125-59(5)140)90(155)84(149)66(46-131)172-114/h24-25,42,44,57-58,64-75,77-124,131-139,145,147-167H,10-23,26-41,43,45-56H2,1-9H3,(H,125,140)(H,126,141)(H,127,142)(H,128,143)(H,129,144)(H,130,146)/b25-24-,44-42+/t57-,58-,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+,124+/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]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]7NC(C)=O)[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]7NC(C)=O)[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]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/C124H216N6O61/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-76(146)130-64(65(145)44-42-40-38-36-34-32-23-21-19-17-15-13-11-2)55-168-118-100(165)97(162)106(74(54-139)180-118)183-121-101(166)107(86(151)68(48-133)174-121)186-116-80(128-62(8)143)93(158)103(72(52-137)178-116)182-122-102(167)108(187-117-81(129-63(9)144)94(159)105(73(53-138)179-117)185-124-112(191-120-99(164)96(161)83(148)58(4)171-120)110(88(153)70(50-135)176-124)189-115-78(126-60(6)141)91(156)85(150)67(47-132)173-115)89(154)75(181-122)56-169-113-79(127-61(7)142)92(157)104(71(51-136)177-113)184-123-111(190-119-98(163)95(160)82(147)57(3)170-119)109(87(152)69(49-134)175-123)188-114-77(125-59(5)140)90(155)84(149)66(46-131)172-114/h24-25,42,44,57-58,64-75,77-124,131-139,145,147-167H,10-23,26-41,43,45-56H2,1-9H3,(H,125,140)(H,126,141)(H,127,142)(H,128,143)(H,129,144)(H,130,146)/b25-24-,44-42+/t57-,58-,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+,124+/m1/s1 Image of MNXM25033
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]([CH2:55][O:168][C@H:118]1[C@H:100]([OH:165])[C@@H:97]([OH:162])[C@H:106]([O:183][C@H:121]2[C@H:101]([OH:166])[C@@H:107]([O:186][C@H:116]3[C@H:80]([N:128]=[C:62]([CH3:8])[OH:143])[C@@H:93]([OH:158])[C@H:103]([O:182][C@H:122]4[C@H:102]([OH:167])[C@@H:108]([O:187][C@H:117]5[C@H:81]([N:129]=[C:63]([CH3:9])[OH:144])[C@@H:94]([OH:159])[C@H:105]([O:185][C@H:124]6[C@H:112]([O:191][C@@H:120]7[C@@H:99]([OH:164])[C@H:96]([OH:161])[C@H:83]([OH:148])[C@@H:58]([CH3:4])[O:171]7)[C@@H:110]([O:189][C@@H:115]7[C@H:78]([N:126]=[C:60]([CH3:6])[OH:141])[C@@H:91]([OH:156])[C@@H:85]([OH:150])[C@@H:67]([CH2:47][OH:132])[O:173]7)[C@@H:88]([OH:153])[C@@H:70]([CH2:50][OH:135])[O:176]6)[C@@H:73]([CH2:53][OH:138])[O:179]5)[C@@H:89]([OH:154])[C@@H:75]([CH2:56][O:169][C@H:113]5[C@H:79]([N:127]=[C:61]([CH3:7])[OH:142])[C@@H:92]([OH:157])[C@H:104]([O:184][C@H:123]6[C@H:111]([O:190][C@@H:119]7[C@@H:98]([OH:163])[C@H:95]([OH:160])[C@H:82]([OH:147])[C@@H:57]([CH3:3])[O:170]7)[C@@H:109]([O:188][C@@H:114]7[C@H:77]([N:125]=[C:59]([CH3:5])[OH:140])[C@@H:90]([OH:155])[C@@H:84]([OH:149])[C@@H:66]([CH2:46][OH:131])[O:172]7)[C@@H:87]([OH:152])[C@@H:69]([CH2:49][OH:134])[O:175]6)[C@@H:71]([CH2:51][OH:136])[O:177]5)[O:181]4)[C@@H:72]([CH2:52][OH:137])[O:178]3)[C@@H:86]([OH:151])[C@@H:68]([CH2:48][OH:133])[O:174]2)[C@@H:74]([CH2:54][OH:139])[O:180]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:145])[OH:146]
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:LMSP0505CR07
lipidmapsM:LMSP0505CR07
WPBOSBLOSANODC-YQJWCRLISA-N 		GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
Hex(5)-HexNAc(5)-Fuc(2)-Cer 42:2
O2