N-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1-) (Q27157320)

CHEBI:83902 (English)

9 October 2016

chemical formula

C₄₈H₉₂NO₁₂S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)[O-])O)C(C=CCCCCCCCCCCCCC)O)O

1 reference

CHEBI:83902 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)[O-])O)[C@@H](/C=C/CCCCCCCCCCCCC)O)O

1 reference

CHEBI:83902 (English)

InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/p-1/b36-34+/t40-,41+,42?,43+,44-,45+,46-,48?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:83902 (English)

QTTLKKFUOJQIRB-UDGPQZKOSA-M

9 October 2016

InChIKey

2 references

CHEBI:83902 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-3-Hydroxy-2-[(2-hydroxytetracosanoyl)amino]-4-octadecen-1-yl 3-O-sulfonato-D-galactopyranoside (English)

9 October 2016

2 references

CHEBI:83902 (English)

matched by identifier from

9 October 2016

InChIKey

QTTLKKFUOJQIRB-UDGPQZKOSA-M

ChEBI ID

83902

mapping relation type

2 references

N-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1-) (English)