CID 146683731
Microginin 756
Structural Information
- Molecular Formula
- C40H61N5O9
- SMILES
- CCCCCCCC(C(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N
- InChI
- InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
- InChIKey
- IFKUPHYTIDOPIM-UHFFFAOYSA-N
- Compound name
- 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 756.45418 | 271.0 |
[M+Na]+ | 778.43612 | 272.2 |
[M-H]- | 754.43962 | 276.0 |
[M+NH4]+ | 773.48072 | 274.5 |
[M+K]+ | 794.41006 | 265.2 |
[M+H-H2O]+ | 738.44416 | 249.2 |
[M+HCOO]- | 800.44510 | 275.1 |
[M+CH3COO]- | 814.46075 | 300.9 |
[M+Na-2H]- | 776.42157 | 307.4 |
[M]+ | 755.44635 | 311.5 |
[M]- | 755.44745 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.