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Globoside Gb3 (d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))

PropertiesImage
MNX_IDMNXM522306 Image of MNXM522306
referenceslm:000485751
formulaC70H121NO18
global charge0
mol weight1264.727
InChIKeyLCFWNTJGSQPUGS-NKBJVUJZSA-N
InChIInChI=1S/C70H121NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-58(76)71-53(54(75)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)52-84-68-64(82)61(79)66(56(50-73)86-68)89-70-65(83)62(80)67(57(51-74)87-70)88-69-63(81)60(78)59(77)55(49-72)85-69/h5,7,11,13,17-18,20-21,23-24,26-27,45,47,53-57,59-70,72-75,77-83H,3-4,6,8-10,12,14-16,19,22,25,28-44,46,48-52H2,1-2H3,(H,71,76)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,47-45+/t53-,54+,55+,56+,57+,59-,60-,61+,62+,63+,64+,65+,66+,67-,68+,69+,70-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C70H121NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-58(76)71-53(54(75)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)52-84-68-64(82)61(79)66(56(50-73)86-68)89-70-65(83)62(80)67(57(51-74)87-70)88-69-63(81)60(78)59(77)55(49-72)85-69/h5,7,11,13,17-18,20-21,23-24,26-27,45,47,53-57,59-70,72-75,77-83H,3-4,6,8-10,12,14-16,19,22,25,28-44,46,48-52H2,1-2H3,(H,71,76)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,47-45+/t53-,54+,55+,56+,57+,59-,60-,61+,62+,63+,64+,65+,66+,67-,68+,69+,70-/m0/s1 Image of MNXM522306
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:58](=[N:71][C@@H:53]([CH2:52][O:84][C@H:68]1[C@H:64]([OH:82])[C@@H:61]([OH:79])[C@H:66]([O:89][C@H:70]2[C@H:65]([OH:83])[C@@H:62]([OH:80])[C@@H:67]([O:88][C@@H:69]3[C@H:63]([OH:81])[C@@H:60]([OH:78])[C@@H:59]([OH:77])[C@@H:55]([CH2:49][OH:72])[O:85]3)[C@@H:57]([CH2:51][OH:74])[O:87]2)[C@@H:56]([CH2:50][OH:73])[O:86]1)[C@@H:54](/[CH:47]=[CH:45]/[CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:75])[OH:76]
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:000485751
slm:000485751
LCFWNTJGSQPUGS-NKBJVUJZSA-N 		Globoside Gb3 (d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
Ganglioside Gb3 (d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
Gb3(d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sphing-4-enine