CID 137323961

1-(2-methoxy-17z-tetracosenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C31H62NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C31H62NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(38-2)26-39-24-28(33)25-40-42(36,37)41-27-30(32)31(34)35/h8-9,28-30,33H,3-7,10-27,32H2,1-2H3,(H,34,35)(H,36,37)/b9-8-/t28-,29?,30+/m1/s1
InChIKey
VIVNFGLHMPCCQU-SWJYBIKISA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxytetracos-17-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.4162 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.42348 249.6
[M+Na]+ 646.40542 251.1
[M-H]- 622.40892 244.0
[M+NH4]+ 641.45002 251.5
[M+K]+ 662.37936 250.2
[M+H-H2O]+ 606.41346 238.7
[M+HCOO]- 668.41440 246.2
[M+CH3COO]- 682.43005 262.8
[M+Na-2H]- 644.39087 230.3
[M]+ 623.41565 244.0
[M]- 623.41675 244.0
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.