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NeuGcalpha2-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM1102860Image of MNXM1102860
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC85H151N3O37
charge0
mass1806.00264
referencelipidmapsM:LMSP0601AF07
InChIKeyPFFLLVFZJGBAPZ-JLHGDQHLSA-N
InChIInChI=1S/C85H151N3O37/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-59(100)87-50(51(97)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)48-114-80-69(108)67(106)73(57(45-93)118-80)120-81-70(109)68(107)74(58(46-94)119-81)121-82-71(110)77(65(104)55(43-91)116-82)123-79-62(86-49(3)96)75(64(103)54(42-90)115-79)122-83-72(111)78(66(105)56(44-92)117-83)125-85(84(112)113)40-52(98)61(88-60(101)47-95)76(124-85)63(102)53(99)41-89/h18-19,36,38,50-58,61-83,89-95,97-99,102-111H,4-17,20-35,37,39-48H2,1-3H3,(H,86,96)(H,87,100)(H,88,101)(H,112,113)/b19-18-,38-36+/t50-,51+,52?,53+,54?,55?,56?,57?,58?,61+,62?,63+,64-,65-,66-,67+,68+,69?,70?,71?,72?,73+,74-,75+,76?,77-,78-,79-,80+,81-,82-,83-,85-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O[C@]6(C(=O)O)CC(O)[C@@H](NC(=O)CO)C([C@H](O)[C@H](O)CO)O6)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMSP0601AF07
lipidmapsM:LMSP0601AF07
NeuGcalpha2-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
Hex(4)-HexNAc-NeuGc-Cer 42:2
O2