Trichodestruxin C (CHEBI:225413)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225413 - Trichodestruxin C

Take structure to advanced search

ChEBI ID	CHEBI:225413
ChEBI Name	Trichodestruxin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H51N5O7
Net Charge	0
Average Mass	593.766
Monoisotopic Mass	593.37885
SMILES	CC(C)C[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O
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

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	PubMed (33301677)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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