CID 145944437

L-glycero-l-galacto-octuluronate-1-phosphate

Structural Information

Molecular Formula
C8H15O12P
SMILES
C(C(=O)[C@H]([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H15O12P/c9-2(1-20-21(17,18)19)3(10)4(11)5(12)6(13)7(14)8(15)16/h3-7,10-14H,1H2,(H,15,16)(H2,17,18,19)/t3-,4+,5+,6-,7-/m1/s1
InChIKey
JTUHBCYMDBCALD-VOQCIKJUSA-N
Compound name
(2R,3R,4S,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.03012 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03740 171.8
[M+Na]+ 357.01934 170.9
[M-H]- 333.02284 176.2
[M+NH4]+ 352.06394 171.3
[M+K]+ 372.99328 163.9
[M+H-H2O]+ 317.02738 160.9
[M+HCOO]- 379.02832 164.8
[M+CH3COO]- 393.04397 193.7
[M+Na-2H]- 355.00479 160.0
[M]+ 334.02957 164.8
[M]- 334.03067 164.8
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.