CID 52929483

1,2-di-(9z-heptadecenoyl)-sn-glycero-3-phosphate

Structural Information

Molecular Formula
C37H69O8P
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C37H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,35H,3-14,19-34H2,1-2H3,(H2,40,41,42)/b17-15-,18-16-/t35-/m1/s1
InChIKey
QMQJAUPVWBSPRD-KCFBCUQPSA-N
Compound name
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.473 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.48028 263.8
[M+Na]+ 695.46222 265.9
[M-H]- 671.46572 254.4
[M+NH4]+ 690.50682 268.3
[M+K]+ 711.43616 267.1
[M+H-H2O]+ 655.47026 254.4
[M+HCOO]- 717.47120 266.8
[M+CH3COO]- 731.48685 270.7
[M+Na-2H]- 693.44767 244.0
[M]+ 672.47245 261.8
[M]- 672.47355 261.8
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.