CHEBI:225413 - Trichodestruxin C

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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 C
ChEBI ID CHEBI:225413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H51N5O7
Net Charge 0
Average Mass 593.766
Monoisotopic Mass 593.37885
InChI InChI=1S/C30H51N5O7/c1-16(2)15-21-28(39)35-14-12-19(7)25(35)27(38)32-23(17(3)4)29(40)34(10)24(18(5)6)30(41)33(9)20(8)26(37)31-13-11-22(36)42-21/h16-21,23-25H,11-15H2,1-10H3,(H,31,37)(H,32,38)/t19-,20-,21+,23-,24-,25-/m0/s1
InChIKey IOKZTLBVORUYDO-RGJWXQDMSA-N
SMILES O=C1N([C@H](C(=O)NCCC(=O)O[C@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)[C@H](CC2)C)=O)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 C (CHEBI:225413) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,10S,13S,16S,19S,20S)-10,11,14,20-tetramethyl-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