CHEBI:225409 - Trichodestruxin B

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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 B
ChEBI ID CHEBI:225409
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H47N5O9
Net Charge 0
Average Mass 597.710
Monoisotopic Mass 597.33738
InChI InChI=1S/C28H47N5O9/c1-15(2)22-27(40)32(7)23(16(3)4)28(41)31(6)17(5)24(37)29-11-10-21(36)42-20(13-18(35)14-34)26(39)33-12-8-9-19(33)25(38)30-22/h15-20,22-23,34-35H,8-14H2,1-7H3,(H,29,37)(H,30,38)/t17-,18+,19-,20+,22-,23-/m0/s1
InChIKey MQPBWKUAVKDXHD-IYDLXWBISA-N
SMILES O=C1N([C@H](C(=O)NCCC(=O)O[C@H](C[C@@H](O)CO)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CCC2)=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 B (CHEBI:225409) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,10S,13S,16S,19S)-3-[(2R)-2,3-dihydroxypropyl]-10,11,14-trimethyl-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