Trichocyclodipeptide A (CHEBI:226333)

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CHEBI:226333 - Trichocyclodipeptide A

Default Structure

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ChEBI ID	CHEBI:226333
ChEBI Name	Trichocyclodipeptide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H40N4O8
Net Charge	0
Average Mass	536.626
Monoisotopic Mass	536.28461
SMILES	CC(=O)OCCC(C)=CC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)C=C(C)CCOC(C)=O)NC1=O
InChI	InChI=1S/C26H40N4O8/c1-17(9-13-37-19(3)31)15-23(33)27-11-5-7-21-25(35)30-22(26(36)29-21)8-6-12-28-24(34)16-18(2)10-14-38-20(4)32/h15-16,21-22H,5-14H2,1-4H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/t21-,22-/m0/s1
InChIKey	QJNXRLUGOHRMKA-VXKWHMMOSA-N

Species of Metabolite	Component	Source	Comments
Stagonospora trichophoricola (ncbitaxon:1508255)	-	PubMed (28676717)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Trichocyclodipeptide A (CHEBI:226333) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
[5-[3-[(2S,5S)-5-[3-[(5-acetyloxy-3-methylpent-2-enoyl)amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] acetate