Talarazine D (CHEBI:206845)

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CHEBI:206845 - Talarazine D

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ChEBI ID	CHEBI:206845
ChEBI Name	Talarazine D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H56N6O12
Net Charge	0
Average Mass	752.863
Monoisotopic Mass	752.39562
SMILES	CC(=O)N[C@@H](CCCN(O)C(=O)/C=C(\C)CCO)C(=O)OCC/C(C)=C/C(=O)NCCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO)NC1=O
InChI	InChI=1S/C35H56N6O12/c1-23(11-17-42)21-31(46)40(51)15-6-9-28-34(49)38-27(33(48)39-28)8-5-14-36-30(45)20-25(3)13-19-53-35(50)29(37-26(4)44)10-7-16-41(52)32(47)22-24(2)12-18-43/h20-22,27-29,42-43,51-52H,5-19H2,1-4H3,(H,36,45)(H,37,44)(H,38,49)(H,39,48)/b23-21+,24-22+,25-20+/t27-,28-,29-/m0/s1
InChIKey	CPURAJDFSOZHME-GLTVSLITSA-N

Species of Metabolite	Component	Source	Comments
Talaromycesspecies CMB-W045 (ncbitaxon:1811500)	-	PubMed (28058837)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Talarazine D (CHEBI:206845) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(E)-5-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate

Manual Xrefs	Databases
76794920	ChemSpider