Trichodestruxin A (CHEBI:225404)

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CHEBI:225404 - Trichodestruxin A

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ChEBI ID	CHEBI:225404
ChEBI Name	Trichodestruxin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H47N5O7
Net Charge	0
Average Mass	577.723
Monoisotopic Mass	577.34755
SMILES	C=CC[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/C29H47N5O7/c1-10-11-20-27(38)34-15-13-18(6)24(34)26(37)31-22(16(2)3)28(39)33(9)23(17(4)5)29(40)32(8)19(7)25(36)30-14-12-21(35)41-20/h10,16-20,22-24H,1,11-15H2,2-9H3,(H,30,36)(H,31,37)/t18-,19-,20+,22-,23-,24-/m0/s1
InChIKey	TVGZKWSSPBHXOE-IIYMCBDZSA-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 A (CHEBI:225404) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,10S,13S,16S,19S,20S)-10,11,14,20-tetramethyl-13,16-di(propan-2-yl)-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone