Search MNXref
 Feedback

Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/20:0)

PropertiesImage
MNX_IDMNXM27311 Image of MNXM27311
referenceglycosphingo:SROXOWWHYSIZMI_KGXZOFSNSA_N
formulaC118H207N5O63
global charge0
mol weight2703.926
InChIKeySROXOWWHYSIZMI-KGXZOFSNSA-N
InChIInChI=1S/C118H207N5O63/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-70(140)123-56(57(139)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-163-111-91(157)88(154)101(68(49-134)175-111)181-117-93(159)103(78(144)61(42-127)170-117)183-108-72(120-53(4)136)83(149)98(65(46-131)172-108)178-114-92(158)102(77(143)60(41-126)167-114)182-109-73(121-54(5)137)85(151)100(67(48-133)173-109)180-118-96(162)106(184-110-74(122-55(6)138)84(150)99(66(47-132)174-110)179-116-95(161)105(80(146)63(44-129)169-116)186-113-90(156)87(153)76(142)59(40-125)166-113)81(147)69(176-118)51-164-107-71(119-52(3)135)82(148)97(64(45-130)171-107)177-115-94(160)104(79(145)62(43-128)168-115)185-112-89(155)86(152)75(141)58(39-124)165-112/h35,37,56-69,71-118,124-134,139,141-162H,7-34,36,38-51H2,1-6H3,(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,140)/b37-35+/t56-,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-/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](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]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](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)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C118H207N5O63/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-70(140)123-56(57(139)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)50-163-111-91(157)88(154)101(68(49-134)175-111)181-117-93(159)103(78(144)61(42-127)170-117)183-108-72(120-53(4)136)83(149)98(65(46-131)172-108)178-114-92(158)102(77(143)60(41-126)167-114)182-109-73(121-54(5)137)85(151)100(67(48-133)173-109)180-118-96(162)106(184-110-74(122-55(6)138)84(150)99(66(47-132)174-110)179-116-95(161)105(80(146)63(44-129)169-116)186-113-90(156)87(153)76(142)59(40-125)166-113)81(147)69(176-118)51-164-107-71(119-52(3)135)82(148)97(64(45-130)171-107)177-115-94(160)104(79(145)62(43-128)168-115)185-112-89(155)86(152)75(141)58(39-124)165-112/h35,37,56-69,71-118,124-134,139,141-162H,7-34,36,38-51H2,1-6H3,(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,140)/b37-35+/t56-,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-/m0/s1 Image of MNXM27311
SMILES (mnx)[CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:70](=[N:123][C@@H:56]([CH2:50][O:163][C@H:111]1[C@H:91]([OH:157])[C@@H:88]([OH:154])[C@H:101]([O:181][C@H:117]2[C@H:93]([OH:159])[C@@H:103]([O:183][C@H:108]3[C@H:72]([N:120]=[C:53]([CH3:4])[OH:136])[C@@H:83]([OH:149])[C@H:98]([O:178][C@H:114]4[C@H:92]([OH:158])[C@@H:102]([O:182][C@H:109]5[C@H:73]([N:121]=[C:54]([CH3:5])[OH:137])[C@@H:85]([OH:151])[C@H:100]([O:180][C@H:118]6[C@H:96]([OH:162])[C@@H:106]([O:184][C@H:110]7[C@H:74]([N:122]=[C:55]([CH3:6])[OH:138])[C@@H:84]([OH:150])[C@H:99]([O:179][C@H:116]8[C@H:95]([OH:161])[C@@H:105]([O:186][C@@H:113]9[C@H:90]([OH:156])[C@@H:87]([OH:153])[C@@H:76]([OH:142])[C@@H:59]([CH2:40][OH:125])[O:166]9)[C@@H:80]([OH:146])[C@@H:63]([CH2:44][OH:129])[O:169]8)[C@@H:66]([CH2:47][OH:132])[O:174]7)[C@@H:81]([OH:147])[C@@H:69]([CH2:51][O:164][C@H:107]7[C@H:71]([N:119]=[C:52]([CH3:3])[OH:135])[C@@H:82]([OH:148])[C@H:97]([O:177][C@H:115]8[C@H:94]([OH:160])[C@@H:104]([O:185][C@@H:112]9[C@H:89]([OH:155])[C@@H:86]([OH:152])[C@@H:75]([OH:141])[C@@H:58]([CH2:39][OH:124])[O:165]9)[C@@H:79]([OH:145])[C@@H:62]([CH2:43][OH:128])[O:168]8)[C@@H:64]([CH2:45][OH:130])[O:171]7)[O:176]6)[C@@H:67]([CH2:48][OH:133])[O:173]5)[C@@H:77]([OH:143])[C@@H:60]([CH2:41][OH:126])[O:167]4)[C@@H:65]([CH2:46][OH:131])[O:172]3)[C@@H:78]([OH:144])[C@@H:61]([CH2:42][OH:127])[O:170]2)[C@@H:68]([CH2:49][OH:134])[O:175]1)[C@@H:57](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:139])[OH:140]
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:SROXOWWHYSIZMI_KGXZOFSNSA_N
SROXOWWHYSIZMI-KGXZOFSNSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/20:0)

lipidmaps:LMSP0505BY03
lipidmapsM:LMSP0505BY03
SROXOWWHYSIZMI-KGXZOFSNSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)
Hex(8)-HexNAc(4)-Cer 38:1
O2