Trichodestruxin B (CHEBI:225409)

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CHEBI:225409 - Trichodestruxin B

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ChEBI ID	CHEBI:225409
ChEBI Name	Trichodestruxin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H47N5O9
Net Charge	0
Average Mass	597.710
Monoisotopic Mass	597.33738
SMILES	CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C[C@@H](O)CO)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
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

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 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