CHEBI:225418 - Trichodestruxin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trichodestruxin D
ChEBI ID CHEBI:225418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H47N5O7
Net Charge 0
Average Mass 565.712
Monoisotopic Mass 565.34755
InChI InChI=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
InChIKey MSEXJTRLEHTCIM-GDXKHXNESA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)NCCC(O[C@@H](C(N2[C@H](C(N[C@H]1C(C)C)=O)CCC2)=O)CC(C)C)=O)C)C(C)C)C
Metabolite of Species Details
Trichoderma harzianum (NCBI:txid5544) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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