(Q27139996)

HS44 aminocyclitol ceramide (English)

19 October 2016

chemical formula

C₅₀H₁₀₀N₂O₇

1 reference

HS44 aminocyclitol ceramide (English)

19 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CNC1CC(C(C(C1O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O

1 reference

HS44 aminocyclitol ceramide (English)

19 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

1 reference

HS44 aminocyclitol ceramide (English)

InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

HS44 aminocyclitol ceramide (English)

XXEARWSQDQWKKF-KVWQTNEHSA-N

19 October 2016

InChIKey

2 references

HS44 aminocyclitol ceramide (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl]amino}-2-octadecanyl]hexacosanamide (English)

19 October 2016

2 references

HS44 aminocyclitol ceramide (English)

matched by identifier from

19 October 2016

InChIKey

XXEARWSQDQWKKF-KVWQTNEHSA-N

ChEBI ID

72586

mapping relation type

2 references

HS44 (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1

1 reference

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

1 reference

3RTQ (English)