CID 52925316

Ps(16:1(9z)/15:1(9z))

Structural Information

Molecular Formula
C37H68NO10P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C37H68NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(39)45-30-33(31-46-49(43,44)47-32-34(38)37(41)42)48-36(40)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12-15,33-34H,3-11,16-32,38H2,1-2H3,(H,41,42)(H,43,44)/b14-12-,15-13-/t33-,34+/m1/s1
InChIKey
CLVCQNWSJRFUES-GXOLVGFXSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.45807 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.46535 268.6
[M+Na]+ 740.44729 271.9
[M-H]- 716.45079 265.8
[M+NH4]+ 735.49189 276.0
[M+K]+ 756.42123 272.4
[M+H-H2O]+ 700.45533 259.1
[M+HCOO]- 762.45627 264.5
[M+CH3COO]- 776.47192 279.8
[M+Na-2H]- 738.43274 249.2
[M]+ 717.45752 265.2
[M]- 717.45862 265.2
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

No patent data available for this compound.