Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:59:17 UTC
Update Date2022-08-31 06:44:33 UTC
Metabolite IDMMDBc0018831
Metabolite Identification
Common NameMalformin A2
DescriptionMalformin A2 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Malformin A2.
Structure
SynonymsNot Available
Molecular FormulaC22H37N5O5S2
Average Mass515.69
Monoisotopic Mass515.223611659
IUPAC Name(1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-bis(propan-2-yl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol
Traditional Name(1S,4S,7R,10S,13S)-4,10-diisopropyl-7-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol
CAS Registry NumberNot Available
SMILES
[H][C@@]12CSSC[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(CC(C)C)N=C(O)[C@@]([H])(N=C1O)C(C)C)C(C)C)C(O)=N2
InChI Identifier
InChI=1S/C22H37N5O5S2/c1-10(2)7-13-18(28)26-17(12(5)6)22(32)25-14-8-33-34-9-15(24-19(14)29)20(30)27-16(11(3)4)21(31)23-13/h10-17H,7-9H2,1-6H3,(H,23,31)(H,24,29)(H,25,32)(H,26,28)(H,27,30)/t13-,14-,15-,16+,17+/m1/s1
InChI KeyKRQRRZFXHYYNSO-MTSZKFMLSA-N