(Q27139575)

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

chemical formula

C₄₅H₈₉NO₄

1 reference

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCCCCCCCCC(C)C)O)O

1 reference

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O

1 reference

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

InChI=1S/C45H89NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-44(49)45(50)46-42(40-47)43(48)38-35-32-29-27-24-25-28-31-34-37-41(2)3/h35,38,41-44,47-49H,4-34,36-37,39-40H2,1-3H3,(H,46,50)/b38-35+/t42-,43+,44?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

PFLNVQWDBPBFRS-OZRVOQIZSA-N

7 October 2016

InChIKey

2 references

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

1 reference

N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyoctacosanamide (English)

7 October 2016

ChEBI ID

71391

mapping relation type

1 reference