(Q27139313)

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

7 October 2016

chemical formula

C₄₄H₈₅NO₉

1 reference

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

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCC(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-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(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-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine (English)

InChI=1S/C44H85NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-38(48)43(52)45-36(34-53-44-42(51)41(50)40(49)39(33-46)54-44)37(47)31-28-25-22-20-17-18-21-24-27-30-35(2)3/h28,31,35-42,44,46-51H,4-27,29-30,32-34H2,1-3H3,(H,45,52)/b31-28+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

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

UEPLVDQQWMQLTP-ZJIUDLAFSA-N

7 October 2016

InChIKey

2 references

1-O-beta-D-glucosyl-N-(2-hydroxyhenicosanoyl)-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-hydroxyhenicosanamide (English)

7 October 2016

1 reference

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

7 October 2016

ChEBI ID

71106

mapping relation type

1 reference

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

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

7 October 2016

1 reference

1 reference