CID 137323966

1-(2-methoxy-5z,9z-hexacosadienyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C33H64NO9P
SMILES
CCCCCCCCCCCCCCCC/C=C\CC/C=C\CCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C33H64NO9P/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/h18-19,22-23,30-32,35H,3-17,20-21,24-29,34H2,1-2H3,(H,36,37)(H,38,39)/b19-18-,23-22-/t30-,31?,32+/m1/s1
InChIKey
GGQRNAKFRYQSRD-CBKLJTPTSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(5Z,9Z)-2-methoxyhexacosa-5,9-dienoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.4319 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.43918 253.9
[M+Na]+ 672.42112 255.7
[M-H]- 648.42462 248.4
[M+NH4]+ 667.46572 256.1
[M+K]+ 688.39506 255.1
[M+H-H2O]+ 632.42916 242.8
[M+HCOO]- 694.43010 250.6
[M+CH3COO]- 708.44575 267.0
[M+Na-2H]- 670.40657 234.3
[M]+ 649.43135 248.2
[M]- 649.43245 248.2
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.