CID 52929749

1-lyso-2-oleoyl-phosphatidic acid

Structural Information

Molecular Formula
C21H41O7P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O
InChI
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
InChIKey
ZOOLJLSXNRZLDH-GDCKJWNLSA-N
Compound name
[(2R)-1-hydroxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

29
Patents

436.259 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.266276 207.0
[M+Na]+ 459.248218 209.7
[M-H]- 435.251724 199.6
[M+NH4]+ 454.292823 206.7
[M+K]+ 475.222158 204.9
[M+H-H2O]+ 419.256260 197.5
[M+HCOO]- 481.257201 215.5
[M+CH3COO]- 495.272851 223.4
[M+Na-2H]- 457.233666 192.4
[M]+ 436.25845142 203.5
[M]- 436.25954858 203.5
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