CID 137323963

1-(2-methoxy-19z-hexacosenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C33H66NO9P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C33H66NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31(40-2)28-41-26-30(35)27-42-44(38,39)43-29-32(34)33(36)37/h8-9,30-32,35H,3-7,10-29,34H2,1-2H3,(H,36,37)(H,38,39)/b9-8-/t30-,31?,32+/m1/s1
InChIKey
CIIRAICCVDPNMA-JXDZOHIWSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyhexacos-19-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

651.4475 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.45478 256.4
[M+Na]+ 674.43672 257.5
[M-H]- 650.44022 250.0
[M+NH4]+ 669.48132 258.1
[M+K]+ 690.41066 257.3
[M+H-H2O]+ 634.44476 245.1
[M+HCOO]- 696.44570 252.1
[M+CH3COO]- 710.46135 268.2
[M+Na-2H]- 672.42217 236.1
[M]+ 651.44695 250.8
[M]- 651.44805 250.8
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.