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Ganglioside GalNAc-GD1a(NeuAc/NeuGc) (d18:1(4E)/24:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102876Image of MNXM1102876
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC98H171N5O45
charge-2
mass2138.12571
referenceslm:000764590
InChIKeyLSIVXLUIEOESOV-DUNDWZPTSA-L
InChIInChI=1S/C98H173N5O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-67(120)102-56(57(115)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)52-135-92-79(128)78(127)82(64(48-108)138-92)141-93-80(129)88(147-98(96(133)134)43-59(117)70(103-68(121)51-111)87(146-98)74(123)61(119)45-105)84(66(50-110)139-93)143-91-72(101-55(5)114)85(76(125)63(47-107)137-91)144-94-81(130)89(83(65(49-109)140-94)142-90-71(100-54(4)113)77(126)75(124)62(46-106)136-90)148-97(95(131)132)42-58(116)69(99-53(3)112)86(145-97)73(122)60(118)44-104/h38,40,56-66,69-94,104-111,115-119,122-130H,6-37,39,41-52H2,1-5H3,(H,99,112)(H,100,113)(H,101,114)(H,102,120)(H,103,121)(H,131,132)(H,133,134)/p-2/b40-38+/t56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,66+,69+,70+,71+,72+,73+,74+,75-,76-,77+,78+,79+,80+,81+,82+,83-,84-,85+,86+,87+,88+,89+,90-,91-,92+,93-,94-,97-,98-/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(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
SLM:000764590
slm:000764590
Ganglioside GalNAc-GD1a(NeuAc/NeuGc) (d18:1(4E)/24:0)
GalNAc-GD1a(NeuAc/NeuGc) (d18:1(4E)/24:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-tetracosanoyl-sphing-4E-enine
lipidmaps:LMSP0601BX05
lipidmapsM:LMSP0601BX05
GalNAc-GD1a(Neu5Ac/Neu5Gc)(d18:1/24:0)
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0)
Hex(3)-HexNAc(2)-NeuAc-NeuGc-Cer 42:1
O2