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Galalpha1-3Galalpha1-4Galbeta1-4GlcCer (d18:1/16:0)

MNXM26644 is deprecated and replaced by MNXM1059575
PropertiesImage
MNX_IDMNXM1059575 Image of MNXM1059575
referenceglycosphingo:HXVBDFAFAYMHCF_BTQYNZBKSA_N
formulaC58H107NO23
global charge0
mol weight1186.478
InChIKeyHXVBDFAFAYMHCF-BTQYNZBKSA-N
InChIInChI=1S/C58H107NO23/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(64)36(59-42(65)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-75-55-49(72)46(69)52(40(33-62)78-55)80-57-50(73)47(70)53(41(34-63)79-57)81-58-51(74)54(44(67)39(32-61)77-58)82-56-48(71)45(68)43(66)38(31-60)76-56/h27,29,36-41,43-58,60-64,66-74H,3-26,28,30-35H2,1-2H3,(H,59,65)/b29-27+/t36-,37+,38+,39+,40+,41+,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55+,56+,57-,58+/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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H107NO23/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(64)36(59-42(65)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-75-55-49(72)46(69)52(40(33-62)78-55)80-57-50(73)47(70)53(41(34-63)79-57)81-58-51(74)54(44(67)39(32-61)77-58)82-56-48(71)45(68)43(66)38(31-60)76-56/h27,29,36-41,43-58,60-64,66-74H,3-26,28,30-35H2,1-2H3,(H,59,65)/b29-27+/t36-,37+,38+,39+,40+,41+,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55+,56+,57-,58+/m0/s1 Image of MNXM1059575
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25]/[CH:27]=[CH:29]/[C@H:37]([C@H:36]([CH2:35][O:75][C@H:55]1[C@H:49]([OH:72])[C@@H:46]([OH:69])[C@H:52]([O:80][C@H:57]2[C@H:50]([OH:73])[C@@H:47]([OH:70])[C@@H:53]([O:81][C@@H:58]3[C@H:51]([OH:74])[C@@H:54]([O:82][C@@H:56]4[C@H:48]([OH:71])[C@@H:45]([OH:68])[C@@H:43]([OH:66])[C@@H:38]([CH2:31][OH:60])[O:76]4)[C@@H:44]([OH:67])[C@@H:39]([CH2:32][OH:61])[O:77]3)[C@@H:41]([CH2:34][OH:63])[O:79]2)[C@@H:40]([CH2:33][OH:62])[O:78]1)[N:59]=[C:42]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:65])[OH:64]
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:HXVBDFAFAYMHCF_BTQYNZBKSA_N
HXVBDFAFAYMHCF-BTQYNZBKSA-N 		Galalpha1-3Galalpha1-4Galbeta1-4GlcCer (d18:1/16:0)

lipidmaps:LMSP0502AL01
lipidmapsM:LMSP0502AL01
HXVBDFAFAYMHCF-BTQYNZBKSA-N 		Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)
Hex(4)-Cer 34:1
O2

SLM:000752155
slm:000752155
HXVBDFAFAYMHCF-BTQYNZBKSA-N 		Globoside GalGb3Cer (d18:1(4E)/16:0)
GalGb3Cer(d18:1(4E)/16:0)
alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(hexadecanoyl)-sphing-4E-enine