Myriocin

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Systematic / IUPAC Name: (2S,3R,4R,6E)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-icosenoic acid

ID: Reference6850

Other Names: Antibiotic ISP-I ;
ISP-1;
Thermozymocidin;
(E,2S,3R,4R)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid;
(2S,3R,4R,6E)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid ; more

Formula: C21H39NO6

Spectral Data

Myriocin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 6739
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/21/2017 12:37:42 PM
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Identificators

InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
InChI Key ZZIKIHCNFWXKDY-GNTQXERDSA-N
Canonical SMILES CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)(C(=O)O)N)O)O
CAS 35891704
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Other Names Antibiotic ISP-I ;
ISP-1;
Thermozymocidin;
(E,2S,3R,4R)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid;
(2S,3R,4R,6E)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid;
(2S,3R,4R,6E)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid;
[2S,3R,4R]-(E)-2-Amino-3,4-dihydroxy-2-[hydroxymethyl]-14-oxo-6-eicosenoic acid;
6-Eicosenoic acid, 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S-(2R*,3S*,4S*,6E))-

In Other Databases

PubChem 6438394
ChemIDPlus 035891704
KEGG C19914
Wikipedia Myriocin
ChEBI CHEBI:582124
ChEMBL CHEMBL55076
ChemSpider 4942874