Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:07:30 UTC
Update Date2022-08-31 06:24:00 UTC
Metabolite IDMMDBc0005573
Metabolite Identification
Common NameTrichoderide A
DescriptionTrichoderide A 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 Trichoderide A.
Structure
SynonymsNot Available
Molecular FormulaC22H35N5O7
Average Mass481.55
Monoisotopic Mass481.253648487
IUPAC Name3-({3-[(3S,6S,9S,14aS)-1,4,7-trihydroxy-9-methyl-10-oxo-3-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,14aH-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-6-yl]propyl}-C-hydroxycarbonimidoyl)propanoic acid
Traditional Name3-({3-[(3S,6S,9S,14aS)-1,4,7-trihydroxy-3-isopropyl-9-methyl-10-oxo-3H,6H,9H,12H,13H,14H,14aH-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-6-yl]propyl}-C-hydroxycarbonimidoyl)propanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]12CCCN1C(=O)[C@]([H])(C)N=C(O)[C@]([H])(CCCN=C(O)CCC(O)=O)N=C(O)[C@@]([H])(N=C2O)C(C)C
InChI Identifier
InChI=1S/C22H35N5O7/c1-12(2)18-21(33)25-14(6-4-10-23-16(28)8-9-17(29)30)19(31)24-13(3)22(34)27-11-5-7-15(27)20(32)26-18/h12-15,18H,4-11H2,1-3H3,(H,23,28)(H,24,31)(H,25,33)(H,26,32)(H,29,30)/t13-,14-,15-,18-/m0/s1
InChI KeyFZOYIXJRNPHGPW-XSWJXKHESA-N