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NeuAcalpha2-3Galbeta1-4GlcNAcalpha1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1107076Image of MNXM1107076
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC97H171N5O46
charge0
mass2142.11952
referencelipidmapsM:LMSP0601FO03
InChIKeyDZFUGMQMHLTYMH-XEINNTESSA-N
InChIInChI=1S/C97H171N5O46/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-64(117)102-53(54(114)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)47-133-92-78(127)77(126)84(62(46-109)140-92)144-93-79(128)86(71(120)58(42-105)136-93)145-90-67(100-51(5)112)75(124)82(60(44-107)138-90)142-94-80(129)87(73(122)63(141-94)48-134-89-66(99-50(4)111)74(123)70(119)57(41-104)135-89)146-91-68(101-52(6)113)76(125)83(61(45-108)139-91)143-95-81(130)88(72(121)59(43-106)137-95)148-97(96(131)132)39-55(115)65(98-49(3)110)85(147-97)69(118)56(116)40-103/h35,37,53-63,65-95,103-109,114-116,118-130H,7-34,36,38-48H2,1-6H3,(H,98,110)(H,99,111)(H,100,112)(H,101,113)(H,102,117)(H,131,132)/b37-35+/t53-,54+,55?,56+,57?,58?,59?,60?,61?,62?,63?,65+,66?,67?,68?,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-,95-,97-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMSP0601FO03
lipidmapsM:LMSP0601FO03
NeuAcalpha2-3Galbeta1-4GlcNAcalpha1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)
Hex(4)-HexNAc(3)-NeuAc-Cer 38:1
O2