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Fucalpha1-2Galalpha1-3Galbeta1-4GlcCer (d18:1/26:0)

MNXM22654 is deprecated and here replaced by MNXM1368789
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368789 Image of MNXM1368789
referenceglycosphingo:YVSTXAJSHZIEIJ_JFFXTNGKSA_N
formulaC68H127NO22
global charge0
mol weight1310.749
InChIKeyYVSTXAJSHZIEIJ-JFFXTNGKSA-N
InChIInChI=1S/C68H127NO22/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(74)69-47(48(73)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-84-65-60(82)58(80)62(51(44-72)88-65)89-67-61(83)63(55(77)50(43-71)86-67)90-68-64(57(79)54(76)49(42-70)87-68)91-66-59(81)56(78)53(75)46(3)85-66/h38,40,46-51,53-68,70-73,75-83H,4-37,39,41-45H2,1-3H3,(H,69,74)/b40-38+/t46-,47-,48+,49+,50+,51+,53+,54-,55-,56+,57-,58+,59-,60+,61+,62+,63-,64+,65+,66-,67-,68+/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](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H127NO22/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-52(74)69-47(48(73)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)45-84-65-60(82)58(80)62(51(44-72)88-65)89-67-61(83)63(55(77)50(43-71)86-67)90-68-64(57(79)54(76)49(42-70)87-68)91-66-59(81)56(78)53(75)46(3)85-66/h38,40,46-51,53-68,70-73,75-83H,4-37,39,41-45H2,1-3H3,(H,69,74)/b40-38+/t46-,47-,48+,49+,50+,51+,53+,54-,55-,56+,57-,58+,59-,60+,61+,62+,63-,64+,65+,66-,67-,68+/m0/s1 Image of MNXM1368789
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:52](=[N:69][C@@H:47]([CH2:45][O:84][C@H:65]1[C@H:60]([OH:82])[C@@H:58]([OH:80])[C@H:62]([O:89][C@H:67]2[C@H:61]([OH:83])[C@@H:63]([O:90][C@@H:68]3[C@H:64]([O:91][C@H:66]4[C@@H:59]([OH:81])[C@H:56]([OH:78])[C@H:53]([OH:75])[C@H:46]([CH3:3])[O:85]4)[C@@H:57]([OH:79])[C@@H:54]([OH:76])[C@@H:49]([CH2:42][OH:70])[O:87]3)[C@@H:55]([OH:77])[C@@H:50]([CH2:43][OH:71])[O:86]2)[C@@H:51]([CH2:44][OH:72])[O:88]1)[C@@H:48](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:73])[OH:74]
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:YVSTXAJSHZIEIJ_JFFXTNGKSA_N
YVSTXAJSHZIEIJ-JFFXTNGKSA-N 		Fucalpha1-2Galalpha1-3Galbeta1-4GlcCer (d18:1/26:0)

SLM:000757006
slm:000757006
YVSTXAJSHZIEIJ-JFFXTNGKSA-N 		Isogloboside Fuc-iGb3Cer (d18:1(4E)/26:0)
Fuc-iGb3Cer(d18:1(4E)/26:0)
alpha-L-fucosyl-(1->2)-alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(hexacosanoyl)-sphing-4E-enine