Feedback

Ganglioside GD1a alpha (d18:1(4E)/18:2(9Z,11E))

PropertiesImageOccurences in reactions
MNX_IDMNXM522675Image of MNXM522675
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC84H142N4O39
charge-2
mass1830.92622
referenceslm:000486206
InChIKeyURRBBFCJPHNFTG-MZVFFDHASA-L
InChIInChI=1S/C84H144N4O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(102)88-48(49(97)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-116-78-68(109)66(107)72(55(41-92)119-78)123-79-69(110)67(108)71(56(42-93)120-79)122-77-61(87-47(5)96)73(65(106)57(121-77)44-117-83(81(112)113)36-50(98)59(85-45(3)94)74(125-83)62(103)52(100)38-89)124-80-70(111)76(64(105)54(40-91)118-80)127-84(82(114)115)37-51(99)60(86-46(4)95)75(126-84)63(104)53(101)39-90/h16,18,20-21,32,34,48-57,59-80,89-93,97-101,103-111H,6-15,17,19,22-31,33,35-44H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,102)(H,112,113)(H,114,115)/p-2/b18-16+,21-20-,34-32+/t48-,49+,50-,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71-,72+,73+,74+,75+,76-,77-,78+,79-,80-,83+,84-/m0/s1
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](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@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:000486206
slm:000486206
Ganglioside GD1a alpha (d18:1(4E)/18:2(9Z,11E))
GD1a alpha(d18:1(4E)/18:2(9Z,11E))
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(9Z,11E-octadecadienoyl)-sphing-4-enine