(Q27225755)

CHEBI:495150 (English)

19 October 2016

chemical formula

C₃₉H₇₇NO₉

1 reference

CHEBI:495150 (English)

19 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCC)O)O

1 reference

CHEBI:495150 (English)

19 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O

1 reference

CHEBI:495150 (English)

InChI=1S/C39H77NO9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-34(43)40-31(35(44)32(42)27-25-6-4-2)30-48-39-38(47)37(46)36(45)33(29-41)49-39/h31-33,35-39,41-42,44-47H,3-30H2,1-2H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEBI:495150 (English)

MPKIDHIOYNMFES-CLTBVUQJSA-N

19 October 2016

InChIKey

2 references

CHEBI:495150 (English)

19 October 2016

stated in

ChEBI release 2020-09-01

2 references

1-O-(alpha-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (English)

MPKIDHIOYNMFES-CLTBVUQJSA-N

19 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=383187-82-4

1 reference

N-[(2S,3S,4R)-1-(alpha-D-Galactopyranosyloxy)-3,4-dihydroxy-2-nonanyl]tetracosanamide (English)

19 October 2016

1 reference

CHEBI:495150 (English)

19 October 2016

Reaxys registry number

9892753

1 reference

1-O-(alpha-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (English)

19 October 2016

ChEBI ID

495150

mapping relation type

1 reference

1-O-(alpha-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (English)

19 October 2016

1 reference

matched by identifier from

CHEMBL231993 (English)

19 October 2016

2 references

inferred from InChIKey

InChIKey

MPKIDHIOYNMFES-CLTBVUQJSA-N

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

1 reference

3ARB (English)

19 October 2016

1 reference

3G08 (English)