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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > sphingolipid > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > sphingolipid > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > organooxygen compound > sphingolipid > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > organooxygen compound > carboxamide > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > ceramide > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > liposaccharide > glycolipid > glycosphingolipid > acidic glycosphingolipid > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > liposaccharide > glycolipid > glycosphingolipid > acidic glycosphingolipid > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > sphingolipid > glycosphingolipid > acidic glycosphingolipid > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > sphingolipid > glycosphingolipid > acidic glycosphingolipid > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)
... > organooxygen compound > sphingolipid > glycosphingolipid > acidic glycosphingolipid > ganglioside > sialopentaosylceramide > 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(d18:1/20:0)

Preferred term

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(d18:1/20:0)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C86H152N4O39

has_functional_parent

has_role

inchi

  • InChI=1S/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(105)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-69(111)68(110)72(58(44-95)121-80)123-82-71(113)78(129-86(84(116)117)39-53(102)62(88-48(4)98)76(127-86)65(107)55(104)41-92)73(59(45-96)122-82)124-79-63(89-49(5)99)74(66(108)56(42-93)119-79)125-81-70(112)77(67(109)57(43-94)120-81)128-85(83(114)115)38-52(101)61(87-47(3)97)75(126-85)64(106)54(103)40-91/h34,36,50-59,61-82,91-96,100-104,106-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68+,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79-,80+,81-,82-,85-,86-/m0/s1

inchikey

  • UPMLUBZFFWELOX-SDHUSZPQSA-N

mass

  • 1866.13050

monoisotopicmass

  • 1865.00337

smiles

  • CCCCCCCCCCCCCCCCCCCC(=O)N[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[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-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

synonym RELATED

  • GD1-d18:1/20:0

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84657

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