Talarazine E (CHEBI:206849)

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CHEBI:206849 - Talarazine E

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ChEBI ID	CHEBI:206849
ChEBI Name	Talarazine E
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)N(O)CCC[C@@H]1NC(=O)[C@H](CCCNC(=O)/C=C(\C)CCO)NC1=O
InChI	InChI=1S/C35H56N6O12/c1-23(11-17-42)20-30(45)36-14-5-8-27-33(48)39-28(34(49)38-27)9-6-15-40(51)32(47)22-25(3)13-19-53-35(50)29(37-26(4)44)10-7-16-41(52)31(46)21-24(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)/b23-20+,24-21+,25-22+/t27-,28-,29-/m0/s1
InChIKey	MJHCDQBLJLBYQT-FCRFISLRSA-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 E (CHEBI:206849) is a N-acyl-amino acid (CHEBI:51569)

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

Manual Xrefs	Databases
76787577	ChemSpider