1-O-(6-deoxy-6-benzamido-alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (Q27140623)

BzNH-alpha-GalCer (English)

7 October 2016

chemical formula

C₅₇H₁₀₄N₂O₉

1 reference

BzNH-alpha-GalCer (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CNC(=O)C2=CC=CC=C2)O)O)O)C(C(CCCCCCCCCCCCCC)O)O

1 reference

BzNH-alpha-GalCer (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)C2=CC=CC=C2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

1 reference

BzNH-alpha-GalCer (English)

InChI=1S/C57H104N2O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-51(61)59-48(52(62)49(60)43-39-34-32-30-28-16-14-12-10-8-6-4-2)46-67-57-55(65)54(64)53(63)50(68-57)45-58-56(66)47-41-37-36-38-42-47/h36-38,41-42,48-50,52-55,57,60,62-65H,3-35,39-40,43-46H2,1-2H3,(H,58,66)(H,59,61)/t48-,49+,50+,52-,53-,54-,55+,57-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

BzNH-alpha-GalCer (English)

HUYHBUSYKLSCKT-RGAVQTIPSA-N

7 October 2016

InChIKey

2 references

BzNH-alpha-GalCer (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3S,4R)-1-{[6-(Benzoylamino)-6-deoxy-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxy-2-octadecanyl]hexacosanamide (English)

7 October 2016

2 references

BzNH-alpha-GalCer (English)

matched by identifier from

7 October 2016

InChIKey

HUYHBUSYKLSCKT-RGAVQTIPSA-N

Reaxys registry number

19094798

1 reference

1-O-(6-deoxy-6-benzamido-alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (English)

7 October 2016

ChEBI ID

73560

mapping relation type

2 references

1-O-(6-deoxy-6-benzamido-alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

187237