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Ganglioside GalNAc-GM1 (d18:1(4E)/18:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102536Image of MNXM1102536
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC81H143N4O36
charge-1
mass1747.94875
referenceslm:000770876
InChIKeyMZKUKQCWDWNZTK-KKIPNEMASA-M
InChIInChI=1S/C81H144N4O36/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(98)85-47(48(95)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-110-77-66(105)64(103)70(53(40-89)113-77)117-79-68(107)74(121-81(80(108)109)36-49(96)57(82-44(3)92)73(120-81)60(99)50(97)37-86)71(55(42-91)115-79)118-76-59(84-46(5)94)72(62(101)52(39-88)112-76)119-78-67(106)65(104)69(54(41-90)114-78)116-75-58(83-45(4)93)63(102)61(100)51(38-87)111-75/h32,34,47-55,57-79,86-91,95-97,99-107H,6-31,33,35-43H2,1-5H3,(H,82,92)(H,83,93)(H,84,94)(H,85,98)(H,108,109)/p-1/b34-32+/t47-,48+,49-,50+,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68+,69-,70+,71-,72+,73+,74+,75-,76-,77+,78-,79-,81-/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@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)NC(=O)CCCCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000770876
slm:000770876
Ganglioside GalNAc-GM1 (d18:1(4E)/18:0)
GalNAc-GM1 (d18:1(4E)/18:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-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-octadecanoyl-sphing-4E-enine
lipidmaps:LMSP0601BC02
lipidmapsM:LMSP0601BC02
GalNAc-GM1(d18:1/18:0)
GalNAcbeta1-4Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0)
Hex(3)-HexNAc(2)-NeuAc-Cer 36:1
O2