1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine (Q27145748)

CHEBI:76098 (English)

8 October 2016

chemical formula

C₄₆H₈₉NO₁₁S

1 reference

CHEBI:76098 (English)

8 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O

1 reference

CHEBI:76098 (English)

8 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

1 reference

CHEBI:76098 (English)

InChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/b35-33+/t39-,40+,41+,43-,44+,45-,46+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:76098 (English)

UAKYQMHTPLVMJD-VKNIJNTKSA-N

8 October 2016

InChIKey

2 references

CHEBI:76098 (English)

CAS (formerly Chemical Abstracts Service)

8 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

265096-83-1

1 reference

stated in

25 January 2022

1 reference

N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]-4-octadecen-2-yl}docosanamide (English)

8 October 2016

1 reference

CHEBI:76098 (English)

8 October 2016

ChEBI ID

76098

mapping relation type

1 reference

1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine (English)

8 October 2016

1 reference

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

CHEMBL1206191 (English)

8 October 2016

1 reference

1 reference