PubChemLite - Antibiotic 6108c (C34H58N2O11S)

Structural Information

Molecular Formula

SMILES

CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC(O)SCC(C(=O)O)N)C)C)C

InChI

InChI=1S/C34H58N2O11S/c1-9-26-20(5)31-34(6,47-31)11-10-24(37)17(2)12-21(14-28(40)48-16-22(35)32(42)43)30(19(4)25(38)15-27(39)45-26)46-33-29(41)23(36(7)8)13-18(3)44-33/h10-11,17-23,25-26,28-31,33,38,40-41H,9,12-16,35H2,1-8H3,(H,42,43)/b11-10+

InChIKey

DKHKJOLYHPGNBU-ZHACJKMWSA-N

Compound name

2-amino-3-[2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]-1-hydroxyethyl]sulfanylpropanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	703.38344	267.2
[M+Na]+	725.36538	267.6
[M+NH4]+	720.40998	267.2
[M+K]+	741.33932	268.5
[M-H]-	701.36888	260.5
[M+Na-2H]-	723.35083	284.9
[M]+	702.37561	265.7
[M]-	702.37671	265.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

703.38344

267.2

[M+Na]+

725.36538

267.6

[M+NH4]+

720.40998

267.2

[M+K]+

741.33932

268.5

[M-H]-

701.36888

260.5

[M+Na-2H]-

723.35083

284.9

[M]+

702.37561

265.7

[M]-

702.37671

265.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Antibiotic 6108c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe