CID 86289645

1-oleoyl-sn-glycero-3-phospho-d-myo-inositol(1-)

Structural Information

Molecular Formula
C27H51O12P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O
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)/b10-9-/t20-,22?,23-,24+,25-,26-,27?/m1/s1
InChIKey
UGDOFRYHDCDVHD-GFMLYYSJSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

598.3118 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.31908 240.9
[M+Na]+ 621.30102 239.7
[M+NH4]+ 616.34562 240.2
[M+K]+ 637.27496 237.9
[M-H]- 597.30452 235.2
[M+Na-2H]- 619.28647 242.2
[M]+ 598.31125 238.4
[M]- 598.31235 238.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe