CHEBI:90238 - β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0)

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ChEBI Name β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0)
ChEBI ID CHEBI:90238
ChEBI ASCII Name beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)
Definition A β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C84H148N4O39
Net Charge 0
Average Mass 1838.081
Monoisotopic Mass 1836.97207
InChI InChI=1S/C84H148N4O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(102)88-48(49(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-116-78-69(110)67(108)71(56(42-93)119-78)121-80-70(111)76(72(57(43-94)120-80)122-77-61(87-47(5)97)73(64(105)54(40-91)117-77)123-79-68(109)66(107)63(104)53(39-90)118-79)127-84(82(114)115)37-51(100)60(86-46(4)96)75(126-84)65(106)55(41-92)124-83(81(112)113)36-50(99)59(85-45(3)95)74(125-83)62(103)52(101)38-89/h32,34,48-57,59-80,89-94,98-101,103-111H,6-31,33,35-44H2,1-5H3,(H,85,95)(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b34-32+/t48-,49+,50-,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64-,65+,66-,67+,68+,69+,70+,71+,72-,73+,74+,75+,76+,77-,78+,79-,80-,83+,84-/m0/s1
InChIKey UXKZRIMBSGILRR-IPNFLAEBSA-N
SMILES [C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C(O)=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C(O)=O)[H])O)CO
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:90238) is a β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer (CHEBI:28175)
β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:90238) is conjugate acid of β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0)(2−) (CHEBI:88231)
Incoming β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0)(2−) (CHEBI:88231) is conjugate base of β-Gal-(1→3)-β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc-(1↔1')-Cer(d18:1/18:0) (CHEBI:90238)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside
Synonyms Sources
β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[α-N-acetylneuraminosyl-(2→8)-α-N-acetylneuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-(octadecanoyl)-sphingosine ChEBI
β-Galp-(1→3)-β-GalpNAc-(1→4)-[α-Neup5Ac-(2→8)-α-Neup5Ac-(2→3)]-β-Galp-(1→4)-β-Glcp-(1↔1')-Cer(d18:1/18:0) ChEBI
GD1b(d18:1/18:0) ChEBI
Registry Number Type Source
3561992 Reaxys Registry Number Reaxys
Last Modified
05 November 2015