CID 165368717

A lipid ivb

Structural Information

Molecular Formula
C25H42N2O24P2
SMILES
C(CO)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)CCOC=O)OC(=O)CCO)O)CO)OP(=O)(O)O)OC(=O)CCO
InChI
InChI=1S/C25H42N2O24P2/c28-5-1-14(33)26-19-23(49-17(36)3-7-30)21(50-52(38,39)40)12(9-31)46-24(19)45-10-13-20(37)22(48-16(35)2-6-29)18(25(47-13)51-53(41,42)43)27-15(34)4-8-44-11-32/h11-13,18-25,28-31,37H,1-10H2,(H,26,33)(H,27,34)(H2,38,39,40)(H2,41,42,43)/t12-,13-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
InChIKey
RRVXBMSZGMWZMV-LQNQATCBSA-N
Compound name
[(2R,3S,4R,5R,6R)-5-(3-formyloxypropanoylamino)-3-hydroxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxypropanoylamino)-4-(3-hydroxypropanoyloxy)-5-phosphonooxyoxan-2-yl]oxymethyl]-6-phosphonooxyoxan-4-yl] 3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

816.1603 Da
Monoisotopic Mass

-8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.16758 251.6
[M+Na]+ 839.14952 254.2
[M+NH4]+ 834.19412 253.4
[M+K]+ 855.12346 254.3
[M-H]- 815.15302 246.9
[M+Na-2H]- 837.13497 268.8
[M]+ 816.15975 251.7
[M]- 816.16085 251.7
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.