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Globoside GalGb3Cer (d18:1(4E)/22:0)

MNXM22735 is deprecated and replaced by MNXM1059578
PropertiesImage
MNX_IDMNXM1059578 Image of MNXM1059578
referenceslm:000752158
formulaC64H119NO23
global charge0
mol weight1270.64
InChIKeyLSEGMDSAFLSRLN-OWFIOSLKSA-N
InChIInChI=1S/C64H119NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-48(71)65-42(43(70)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)41-81-61-55(78)52(75)58(46(39-68)84-61)86-63-56(79)53(76)59(47(40-69)85-63)87-64-57(80)60(50(73)45(38-67)83-64)88-62-54(77)51(74)49(72)44(37-66)82-62/h33,35,42-47,49-64,66-70,72-80H,3-32,34,36-41H2,1-2H3,(H,65,71)/b35-33+/t42-,43+,44+,45+,46+,47+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59-,60-,61+,62+,63-,64+/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]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C64H119NO23/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-48(71)65-42(43(70)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)41-81-61-55(78)52(75)58(46(39-68)84-61)86-63-56(79)53(76)59(47(40-69)85-63)87-64-57(80)60(50(73)45(38-67)83-64)88-62-54(77)51(74)49(72)44(37-66)82-62/h33,35,42-47,49-64,66-70,72-80H,3-32,34,36-41H2,1-2H3,(H,65,71)/b35-33+/t42-,43+,44+,45+,46+,47+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59-,60-,61+,62+,63-,64+/m0/s1 Image of MNXM1059578
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:48](=[N:65][C@@H:42]([CH2:41][O:81][C@H:61]1[C@H:55]([OH:78])[C@@H:52]([OH:75])[C@H:58]([O:86][C@H:63]2[C@H:56]([OH:79])[C@@H:53]([OH:76])[C@@H:59]([O:87][C@@H:64]3[C@H:57]([OH:80])[C@@H:60]([O:88][C@@H:62]4[C@H:54]([OH:77])[C@@H:51]([OH:74])[C@@H:49]([OH:72])[C@@H:44]([CH2:37][OH:66])[O:82]4)[C@@H:50]([OH:73])[C@@H:45]([CH2:38][OH:67])[O:83]3)[C@@H:47]([CH2:40][OH:69])[O:85]2)[C@@H:46]([CH2:39][OH:68])[O:84]1)[C@@H:43](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:70])[OH:71]
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:000752158
slm:000752158
LSEGMDSAFLSRLN-OWFIOSLKSA-N 		Globoside GalGb3Cer (d18:1(4E)/22:0)
GalGb3Cer(d18:1(4E)/22:0)
alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(docosanoyl)-sphing-4E-enine

lipidmaps:LMSP0502AL04
lipidmapsM:LMSP0502AL04
LSEGMDSAFLSRLN-OWFIOSLKSA-N 		Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Hex(4)-Cer 40:1
O2