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N-acetyl-D-galactosaminyl-(1->3)-D-galactosyl-(1->4)-D-galactosyl-(1->4)-D-glucosyl-N-stearoylceramide

MNXM1102653 is deprecated and replaced by MNXM1102652
PropertiesImage
MNX_IDMNXM1102652 Image of MNXM1102652
referencechebi:52988
formulaC62H114N2O23
global charge0
mol weight1255.585
InChIKeyWQRPYKCGVLWFGH-FVJVODJNSA-N
InChIInChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/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)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1 Image of MNXM1102652
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:46](=[N:64][C@@H:40]([CH2:38][O:80][C@H:60]1[C@H:53]([OH:77])[C@@H:51]([OH:75])[C@H:56]([O:85][C@H:61]2[C@H:54]([OH:78])[C@@H:52]([OH:76])[C@@H:57]([O:86][C@@H:62]3[C@H:55]([OH:79])[C@@H:58]([O:87][C@H:59]4[C@H:47]([N:63]=[C:39]([CH3:3])[OH:69])[C@@H:50]([OH:74])[C@@H:48]([OH:72])[C@@H:42]([CH2:34][OH:65])[O:81]4)[C@@H:49]([OH:73])[C@@H:43]([CH2:35][OH:66])[O:82]3)[C@@H:45]([CH2:37][OH:68])[O:84]2)[C@@H:44]([CH2:36][OH:67])[O:83]1)[C@@H:41](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][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

CHEBI:52988
chebi:52988
WQRPYKCGVLWFGH-FVJVODJNSA-N 		N-acetyl-D-galactosaminyl-(1->3)-D-galactosyl-(1->4)-D-galactosyl-(1->4)-D-glucosyl-N-stearoylceramide
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide

SLM:000748331
slm:000748331
WQRPYKCGVLWFGH-FVJVODJNSA-N 		Globoside Gb4Cer (d18:1(4E)/18:0)
Gb4Cer(d18:1(4E)/18:0)
N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(octadecanoyl)-sphing-4E-enine

lipidmaps:LMSP0502AB02
lipidmapsM:LMSP0502AB02
WQRPYKCGVLWFGH-FVJVODJNSA-N 		Globoside I/Cytolipin K(d18:1/18:0)
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0)
Hex(3)-HexNAc-Cer 36:1
O2
hmdb:HMDB0004961
WQRPYKCGVLWFGH-FRDPBZGNSA-N 		Tetrahexosylceramide (d18:1/18:0)
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)-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]octadecanimidate
Parvovirus b19 receptor

hmdb:HMDB04961 		secondary/obsolete/fantasy identifier