CID 126963437

Myelin oligodendrocyte glycoprotein (35-55)

Structural Information

Molecular Formula
C57H76N19O18
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[CH]C(=O)N[CH]C(=O)N[CH]C(=O)N[CH]C(=O)N[CH]C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[CH]NC(=O)[CH]NC(=O)[CH]NC(=O)[C@@H]1CCCN1C(=O)[CH]NC(=O)[CH]NC(=O)[CH]NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC
InChI
InChI=1S/C57H76N19O18/c1-31(2)51(55(91)72-27-47(85)65-21-41(79)62-19-39(77)61-20-40(78)63-22-42(80)67-28-48(86)73-36(57(93)94)13-8-9-15-58)75-56(92)52(32(3)4)74-49(87)29-68-43(81)23-64-46(84)26-71-54(90)38-14-10-16-76(38)50(88)30-69-44(82)24-66-45(83)25-70-53(89)37(59-5)17-33-18-60-35-12-7-6-11-34(33)35/h6-7,11-12,18-27,29-32,36-38,51-52,59-60H,8-10,13-17,28,58H2,1-5H3,(H,61,77)(H,62,79)(H,63,78)(H,64,84)(H,65,85)(H,66,83)(H,67,80)(H,68,81)(H,69,82)(H,70,89)(H,71,90)(H,72,91)(H,73,86)(H,74,87)(H,75,92)(H,93,94)/t36-,37-,38-,51-,52-/m0/s1
InChIKey
FDTAHYCEBONMQS-AKWWJSSDSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

784
References

0
Patents

1314.5615 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1315.5688 362.2
[M+Na]+ 1337.5507 375.0
[M+NH4]+ 1332.5953 377.0
[M+K]+ 1353.5247 358.9
[M-H]- 1313.5542 373.1
[M+Na-2H]- 1335.5362 388.1
[M]+ 1314.5610 377.1
[M]- 1314.5620 377.1
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.