(Q27147943)

(2R)-2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate (English)

8 October 2016

chemical formula

C₂₇H₅₀O₁₂P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCC(=C(CCCCCCCC(=O)OCC(COP([O-])(=O)OC1(C(C(C(C(C1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H])[H])[H]

1 reference

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

8 October 2016

isomeric SMILES

CCCCCCCC\C(=C(/CCCCCCCC(=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])\[H])\[H]

1 reference

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

InChI=1S/C27H51O12P/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/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36)/p-1/b10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

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

UGDOFRYHDCDVHD-FRWBGTIISA-M

8 October 2016

InChIKey

2 references

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

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate (English)

8 October 2016

ChEBI ID

78762

mapping relation type

2 references

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

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H51O12P/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/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36)/p-1/b10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1

2 references

https://www.swisslipids.org/#/downloads