(Q27139304)

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

chemical formula

C₄₂H₈₁NO₉

1 reference

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCC(C)C)O)O

1 reference

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O

1 reference

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

InChI=1S/C42H81NO9/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-23-20-18-15-16-19-22-25-28-33(2)3/h26,29,33-40,42,44-49H,4-25,27-28,30-32H2,1-3H3,(H,43,50)/b29-26+/t34-,35+,36?,37+,38+,39-,40+,42+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

WIPJPGUPKLPVTH-HOLBESNJSA-N

7 October 2016

InChIKey

2 references

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3R,4E)-1-(beta-D-Glucopyranosyloxy)-3-hydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxynonadecanamide (English)

7 October 2016

1 reference

1-O-beta-D-glucosyl-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

ChEBI ID

71092

mapping relation type

1 reference