CID 3043876

Seldomycin factor 1

Structural Information

Molecular Formula
C17H34N4O10
SMILES
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)OC3C(C(C(CO3)O)O)N)N
InChI
InChI=1S/C17H34N4O10/c18-4-1-5(19)15(31-17-9(21)12(26)11(25)7(2-22)29-17)13(27)14(4)30-16-8(20)10(24)6(23)3-28-16/h4-17,22-27H,1-3,18-21H2
InChIKey
YNMRKGLUALDHIR-UHFFFAOYSA-N
Compound name
5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

454.2275 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23478 210.3
[M+Na]+ 477.21672 210.0
[M+NH4]+ 472.26132 210.0
[M+K]+ 493.19066 211.5
[M-H]- 453.22022 202.2
[M+Na-2H]- 475.20217 225.8
[M]+ 454.22695 207.8
[M]- 454.22805 207.8
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

patents stripe