Trichomide D (CHEBI:209442)

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CHEBI:209442 - Trichomide D

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ChEBI ID	CHEBI:209442
ChEBI Name	Trichomide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H52ClN5O8
Net Charge	0
Average Mass	658.237
Monoisotopic Mass	657.35044
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](C[C@H](O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O
InChI	InChI=1S/C31H52ClN5O8/c1-9-17(3)24-30(43)36(8)26(18(4)10-2)31(44)35(7)20(6)27(40)33-13-11-23(39)45-22(15-21(38)16-32)29(42)37-14-12-19(5)25(37)28(41)34-24/h17-22,24-26,38H,9-16H2,1-8H3,(H,33,40)(H,34,41)/t17-,18-,19-,20-,21-,22+,24-,25-,26-/m0/s1
InChIKey	YLJGPZCOGZACRT-DPSFEFNXSA-N

Species of Metabolite	Component	Source	Comments
Trichothecium roseum (ncbitaxon:47278)	-	PubMed (30572686)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trichomide D (CHEBI:209442) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
71048457	ChemSpider