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| Number |
qtl-m0347 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
367.2191 |
| Exact mass(Da) |
367.2187 |
| Accurate mass error(ppm) |
1.02 |
| Molecular formula |
C14H30N4O7 |
| Ionization model |
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| Ret. Time(min) |
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| Precursor ions(Q1) |
367.1 |
| Product ions(Q3) |
339.1 |
| Main fragments |
339.1, 324.0, 309.1, 295.1, 268.1, 190.1 |
| Compound |
Fortimicin KK1 |
| Identification |
putative |
| class |
Others |
| Organism |
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| Reference |
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| CV(%) |
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| H2 |
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| ChEBI_ID |
CHEBI:86409 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
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| ChEBI Name |
fortimicin KK1;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| Definition |
An amino cyclitol glycoside that is (1R,2S,3S,4S,5S,6R)-2-amino-1,3,4,6-tetrahydroxy-5-(methylamino)cyclohexane in which the hydroxy group at position 1 |
| DrugBank Database Links |
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| Formulae |
C14H30N4O7;; |
| Gmelin Registry Numbers |
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| INN |
|
| IUPAC Names |
(1R,2S,3S,4S,5S,6R)-2-amino-3,4,6-trihydroxy-5-(methylamino)cyclohexyl 2,6-diamino-2,6,7-trideoxy-L-glycero-alpha-D-gluco-heptopyranoside;; |
| InChI |
InChI=1S/C14H30N4O7/c1-3(15)12-11(23)8(20)5(17)14(24-12)25-13-4(16)7(19)9(21)6(18-2)10(13)22/h3-14,18-23H,15-17H2,1-2H3/t3-,4-,5+,6-,7-,8+,9-,10+,11-,12+,13+,14+/m0/s1;;InChI=1S/C14H30N4O7/c1-3(15)12-11(23)8(20)5(17)14(24-12)25-13-4(16)7(19)9(21)6(18-2)10 |
| InChIKey |
WVUDHRISQRHHPW-NHJHCJIZSA-N;;WVUDHRISQRHHPW-KEIGUWNGSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
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| Last Modified |
24 Jul 2015;; |
| Mass |
366.41060;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
252162379;;223446474;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
7490235;;1494349;; |
| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O;; |
| Secondary ChEBI ID |
CHEBI:81425;; |
| Star |
3;; |
| Synonyms |
methylated fortimicin KL1;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
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