CID 3040806

Myomycin b

Structural Information

Molecular Formula
C27H51N9O14
SMILES
C(CC(CC(=O)NCCCC(CC(=O)NC(=NC1C(C(OC(C1O)OC2C(C(C(C(C2O)OC(=O)N)O)OC(=O)N)O)CO)O)N)N)N)CN
InChI
InChI=1S/C27H51N9O14/c28-5-1-3-10(29)7-13(38)34-6-2-4-11(30)8-14(39)35-25(31)36-15-16(40)12(9-37)47-24(17(15)41)48-21-18(42)22(49-26(32)45)20(44)23(19(21)43)50-27(33)46/h10-12,15-24,37,40-44H,1-9,28-30H2,(H2,32,45)(H2,33,46)(H,34,38)(H3,31,35,36,39)
InChIKey
HHHVZSRXAOIJNA-UHFFFAOYSA-N
Compound name
[3-[4-[[amino-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]methylidene]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2,4,6-trihydroxycyclohexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

725.3555 Da
Monoisotopic Mass

-7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.36278 251.9
[M+Na]+ 748.34472 255.4
[M+NH4]+ 743.38932 256.8
[M+K]+ 764.31866 250.0
[M-H]- 724.34822 249.7
[M+Na-2H]- 746.33017 274.2
[M]+ 725.35495 255.2
[M]- 725.35605 255.2
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

patents stripe