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Globoside Gb4Cer (d18:1(4E)/22:0)

MNXM1102394 is deprecated and replaced by MNXM1102393
PropertiesImage
MNX_IDMNXM1102393 Image of MNXM1102393
referenceslm:000748333
formulaC66H122N2O23
global charge0
mol weight1311.693
InChIKeyJQUHSPIEUIPQKK-RMMFKWPHSA-N
InChIInChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-57(81)55(79)60(48(40-71)87-64)89-65-58(82)56(80)61(49(41-72)88-65)90-66-59(83)62(53(77)47(39-70)86-66)91-63-51(67-43(3)73)54(78)52(76)46(38-69)85-63/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64+,65-,66+/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]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-57(81)55(79)60(48(40-71)87-64)89-65-58(82)56(80)61(49(41-72)88-65)90-66-59(83)62(53(77)47(39-70)86-66)91-63-51(67-43(3)73)54(78)52(76)46(38-69)85-63/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1 Image of MNXM1102393
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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:50](=[N:68][C@@H:44]([CH2:42][O:84][C@H:64]1[C@H:57]([OH:81])[C@@H:55]([OH:79])[C@H:60]([O:89][C@H:65]2[C@H:58]([OH:82])[C@@H:56]([OH:80])[C@@H:61]([O:90][C@@H:66]3[C@H:59]([OH:83])[C@@H:62]([O:91][C@H:63]4[C@H:51]([N:67]=[C:43]([CH3:3])[OH:73])[C@@H:54]([OH:78])[C@@H:52]([OH:76])[C@@H:46]([CH2:38][OH:69])[O:85]4)[C@@H:53]([OH:77])[C@@H:47]([CH2:39][OH:70])[O:86]3)[C@@H:49]([CH2:41][OH:72])[O:88]2)[C@@H:48]([CH2:40][OH:71])[O:87]1)[C@@H:45](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:74])[OH:75]
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:000748333
slm:000748333
JQUHSPIEUIPQKK-RMMFKWPHSA-N 		Globoside Gb4Cer (d18:1(4E)/22:0)
Gb4Cer(d18:1(4E)/22:0)
N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(docosanoyl)-sphing-4E-enine

lipidmaps:LMSP0502AB04
lipidmapsM:LMSP0502AB04
JQUHSPIEUIPQKK-RMMFKWPHSA-N 		Globoside I/Cytolipin K(d18:1/22:0)
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Hex(3)-HexNAc-Cer 40:1
O2
hmdb:HMDB0004963
JQUHSPIEUIPQKK-LYASSRGASA-N 		Tetrahexosylceramide (d18:1/22:0)
CQH
Cytolipin K
GB4Cer
GalNAc-beta1->3gal-alpha1->3gal-beta1->4GLC-beta1->1'cer
Ganglioside GB4
Ganglioside GL 4
Gb4
Globo-N-tetraosylceramide
Globosidate
Globoside
Globoside GB 4
Globoside GL 4
Globoside I
Globosidic acid
Globotetraosylceramide
IGb4cer
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-Acetyl-delta-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-Acetyl-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanimidate
Parvovirus b19 receptor

hmdb:HMDB04963 		secondary/obsolete/fantasy identifier