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alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/16:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102341Image of MNXM1102341
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC82H144N4O39
charge0
mass1808.94077
referencechebi:90429
InChIKeyDOJNPEGQAGROHH-JIILTNDZSA-N
InChIInChI=1S/C82H144N4O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(96)46(86-56(101)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-114-76-65(107)64(106)68(54(40-91)117-76)119-78-67(109)74(125-82(80(112)113)35-49(98)58(84-44(4)94)72(123-82)61(103)51(100)37-88)69(55(41-92)118-78)120-75-59(85-45(5)95)70(62(104)52(38-89)115-75)121-77-66(108)73(63(105)53(39-90)116-77)124-81(79(110)111)34-48(97)57(83-43(3)93)71(122-81)60(102)50(99)36-87/h30,32,46-55,57-78,87-92,96-100,102-109H,6-29,31,33-42H2,1-5H3,(H,83,93)(H,84,94)(H,85,95)(H,86,101)(H,110,111)(H,112,113)/b32-30+/t46-,47+,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-,81-,82-/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](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@]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)CCCCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:90429
chebi:90429
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/16:0)
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
GD1-d18:1/16:0
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0)
lipidmaps:LMSP0601AS01
lipidmapsM:LMSP0601AS01
GD1a(d18:1/16:0)
Hex(3)-HexNAc-NeuAc(2)-Cer 34:1
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0)
O2
SLM:000486309
slm:000486309
Ganglioside GD1a (d18:1(4E)/16:0)
GD1a(d18:1(4E)/16:0)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(hexadecanoyl)-sphing-4-enine