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Ganglioside GD1a alpha (d18:1(4E)/4:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM522738Image of MNXM522738
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC70H118N4O39
charge-2
mass1638.73842
referenceslm:000486216
InChIKeyGCMPBMGPDDQKKT-XYFMMHMCSA-L
InChIInChI=1S/C70H120N4O39/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-35(83)34(74-44(88)20-7-2)29-102-64-54(95)52(93)58(41(27-78)105-64)109-65-55(96)53(94)57(42(28-79)106-65)108-63-47(73-33(5)82)59(51(92)43(107-63)30-103-69(67(98)99)22-36(84)45(71-31(3)80)60(111-69)48(89)38(86)24-75)110-66-56(97)62(50(91)40(26-77)104-66)113-70(68(100)101)23-37(85)46(72-32(4)81)61(112-70)49(90)39(87)25-76/h19,21,34-43,45-66,75-79,83-87,89-97H,6-18,20,22-30H2,1-5H3,(H,71,80)(H,72,81)(H,73,82)(H,74,88)(H,98,99)(H,100,101)/p-2/b21-19+/t34-,35+,36-,37-,38+,39+,40+,41+,42+,43+,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62-,63-,64+,65-,66-,69+,70-/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@]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)NC(=O)CCC
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IdentifierDescription
SLM:000486216
slm:000486216
Ganglioside GD1a alpha (d18:1(4E)/4:0)
GD1a alpha(d18:1(4E)/4:0)
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-(butanoyl)-sphing-4-enine