1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (Q27156606)

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate (English)

9 October 2016

chemical formula

C₂₇H₅₃O₁₂P

0 references

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H]

1 reference

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@](COP(O)(=O)O[C@@]1([C@@]([C@@]([C@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H]

1 reference

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (English)

InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (English)

MXAFDFDAIFZFET-CZDOQZASSA-N

9 October 2016

InChIKey

2 references

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate (English)

9 October 2016

ChEBI ID

83054

mapping relation type

2 references

1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

Human Metabolome Database ID

HMDB0062777

reason for deprecated rank

cannot be confirmed by other sources

0 references

HMDB0240261

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MXAFDFDAIFZFET-CZDOQZASSA-N

1 reference

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