(Q27131959)

CHEBI:62495 (English)

7 October 2016

chemical formula

C₂₄H₄₈NO₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)[NH3+])O

1 reference

CHEBI:62495 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[NH3+])O

1 reference

CHEBI:62495 (English)

InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/p+1/b15-14+/t18-,19+,20+,21+,22-,23+,24?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:62495 (English)

HHJTWTPUPVQKNA-WNCZHHJSSA-O

7 October 2016

InChIKey

2 references

CHEBI:62495 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,4E)-1-(D-Glucopyranosyloxy)-3-hydroxy-4-octadecen-2-aminium (English)

7 October 2016

1 reference

CHEBI:62495 (English)

7 October 2016

ChEBI ID

62495

mapping relation type

1 reference