(2S)-2-hydroxyphytanate (Q27125758)

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

6 October 2016

chemical formula

C₂₀H₃₉O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)C(C(=O)[O-])O

1 reference

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

6 October 2016

isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)[C@@H](C(=O)[O-])O

1 reference

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/p-1/t16?,17?,18?,19-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

CGKMKXBKVBXUGK-LFVBFMBRSA-M

6 October 2016

InChIKey

2 references

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-hydroxyphytanate (English)

6 October 2016

2 references

(2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoate (English)

matched by identifier from

6 October 2016

InChIKey

CGKMKXBKVBXUGK-LFVBFMBRSA-M

ChEBI ID

58398

mapping relation type

2 references

(2S)-2-hydroxyphytanate (English)