EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225418 - Trichodestruxin D

ChEBI IDCHEBI:225418
ChEBI NameTrichodestruxin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H47N5O7
Net Charge0
Average Mass565.712
Monoisotopic Mass565.34755
SMILESCC(C)C[C@H]1OC(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C28H47N5O7/c1-15(2)14-20-27(38)33-13-9-10-19(33)25(36)31-22(16(3)4)28(39)32(8)23(17(5)6)26(37)30-18(7)24(35)29-12-11-21(34)40-20/h15-20,22-23H,9-14H2,1-8H3,(H,29,35)(H,30,37)(H,31,36)/t18-,19-,20+,22-,23-/m0/s1
InChIKeyMSEXJTRLEHTCIM-GDXKHXNESA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - PubMed (33301677)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichodestruxin D (CHEBI:225418) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S,19S)-10,14-dimethyl-3-(2-methylpropyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone