CID 197034

Streptothricin f

Structural Information

Molecular Formula
C19H34N8O8
SMILES
C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O
InChI
InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1
InChIKey
NRAUADCLPJTGSF-VLSXYIQESA-N
Compound name
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

282
References

851
Patents

502.24997 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.25725 214.1
[M+Na]+ 525.23919 212.4
[M-H]- 501.24269 203.8
[M+NH4]+ 520.28379 212.5
[M+K]+ 541.21313 216.8
[M+H-H2O]+ 485.24723 198.2
[M+HCOO]- 547.24817 214.5
[M+CH3COO]- 561.26382 218.8
[M+Na-2H]- 523.22464 232.8
[M]+ 502.24942 224.0
[M]- 502.25052 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe