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Ganglioside GalNAc-GM1b(NeuGc) (d18:1(4E)/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1103092Image of MNXM1103092
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC83H147N4O37
charge-1
mass1791.97497
referenceslm:000774277
InChIKeyHWKOUKXLDJPLCX-WSIPSFQKSA-M
InChIInChI=1S/C83H148N4O37/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-57(100)86-48(49(97)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)45-113-79-68(108)66(106)72(54(41-91)116-79)120-80-69(109)67(107)71(55(42-92)117-80)119-78-61(85-47(4)96)74(64(104)53(40-90)115-78)122-81-70(110)76(73(56(43-93)118-81)121-77-60(84-46(3)95)65(105)63(103)52(39-89)114-77)124-83(82(111)112)37-50(98)59(87-58(101)44-94)75(123-83)62(102)51(99)38-88/h33,35,48-56,59-81,88-94,97-99,102-110H,5-32,34,36-45H2,1-4H3,(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,111,112)/p-1/b35-33+/t48-,49+,50-,51+,52+,53+,54+,55+,56+,59+,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75+,76+,77-,78-,79+,80-,81-,83-/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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000774277
slm:000774277
Ganglioside GalNAc-GM1b(NeuGc) (d18:1(4E)/20:0)
GalNAc-GM1b(NeuGc) (d18:1(4E)/20:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-eicosanoyl-sphing-4E-enine
lipidmaps:LMSP0601BZ03
lipidmapsM:LMSP0601BZ03
GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0)
Hex(3)-HexNAc(2)-NeuGc-Cer 38:1
O2