Feedback

Ganglioside GalNAc-GD1a (d18:1(4E)/24:1(15Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM1103267Image of MNXM1103267
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC98H169N5O44
charge-2
mass2120.11514
referenceslm:000764220
InChIKeyYNJCMXZXDGFUCU-MVPVZGAZSA-L
InChIInChI=1S/C98H171N5O44/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-68(120)103-57(58(115)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-134-92-79(127)78(126)82(65(49-108)137-92)140-93-80(128)88(146-97(95(130)131)43-59(116)69(99-53(3)111)86(144-97)73(121)61(118)45-104)84(67(51-110)138-93)142-91-72(102-56(6)114)85(76(124)64(48-107)136-91)143-94-81(129)89(83(66(50-109)139-94)141-90-71(101-55(5)113)77(125)75(123)63(47-106)135-90)147-98(96(132)133)44-60(117)70(100-54(4)112)87(145-98)74(122)62(119)46-105/h21-22,39,41,57-67,69-94,104-110,115-119,121-129H,7-20,23-38,40,42-52H2,1-6H3,(H,99,111)(H,100,112)(H,101,113)(H,102,114)(H,103,120)(H,130,131)(H,132,133)/p-2/b22-21-,41-39+/t57-,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,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
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
SLM:000764220
slm:000764220
Ganglioside GalNAc-GD1a (d18:1(4E)/24:1(15Z))
GalNAc-GD1a (d18:1(4E)/24:1(15Z))
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)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(15Z-tetracosenoyl)-sphing-4E-enine
lipidmaps:LMSP0601BG07
lipidmapsM:LMSP0601BG07
GalNAc-GD1a(d18:1/24:1(15Z))
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
Hex(3)-HexNAc(2)-NeuAc(2)-Cer 42:2
O2