N-(2-hydroxynonadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (Q27139311)

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (English)

7 October 2016

chemical formula

C₄₂H₈₃NO₁₀

1 reference

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (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)O

1 reference

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (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@@H](CCCCCCCCCCC(C)C)O)O)O

1 reference

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (English)

InChI=1S/C42H83NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-35(46)41(51)43-33(31-52-42-40(50)39(49)38(48)36(30-44)53-42)37(47)34(45)28-25-22-19-17-16-18-21-24-27-32(2)3/h32-40,42,44-50H,4-31H2,1-3H3,(H,43,51)/t33-,34+,35?,36+,37-,38+,39-,40+,42+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (English)

MRCDCHVKMFGSTL-DKDGDXTRSA-N

7 October 2016

InChIKey

2 references

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-15-methyl-2-hexadecanyl]-2-hydroxynonadecanamide (English)

7 October 2016

1 reference

1-O-beta-D-glucosyl-4-hydroxy-N-(2-hydroxynonadecanoyl)-15-methylhexadecasphinganine (English)

7 October 2016

ChEBI ID

71101

mapping relation type

1 reference