Valinomycin

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Systematic / IUPAC Name: (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone

ID: Reference1391

Other Names: Cyclotris[-D-O-Val-D-Val-L-O-Ala-L-Val]

Formula: C54H90N6O18

Class: Endogenous Metabolites

Spectral Data

Valinomycin 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 3:16:15 PM
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Identificators

InChI InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1
InChI Key FCFNRCROJUBPLU-DNDCDFAISA-N
Canonical SMILES
CAS 2001958
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Other Names Cyclotris[-D-O-Val-D-Val-L-O-Ala-L-Val]

In Other Databases

Wikipedia Valinomycin
ChemSpider 21493802
KEGG C06684
PubChem 3000706
ChEBI CHEBI:28545
ChEMBL CHEMBL223643