Deferrihydroxycoprogen (CHEBI:226360)

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CHEBI:226360 - Deferrihydroxycoprogen

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ChEBI ID	CHEBI:226360
ChEBI Name	Deferrihydroxycoprogen
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H56N6O14
Net Charge	0
Average Mass	784.861
Monoisotopic Mass	784.38545
SMILES	CC(=O)NC(CCCN(O)C(=O)/C=C(\C)C(O)CO)C(=O)OCC/C(C)=C/C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC1=O
InChI	InChI=1S/C35H56N6O14/c1-22(11-16-42)18-30(46)39(52)13-5-8-26-33(49)38-27(34(50)37-26)9-6-14-40(53)31(47)19-23(2)12-17-55-35(51)28(36-25(4)44)10-7-15-41(54)32(48)20-24(3)29(45)21-43/h18-20,26-29,42-43,45,52-54H,5-17,21H2,1-4H3,(H,36,44)(H,37,50)(H,38,49)/b22-18+,23-19+,24-20+
InChIKey	SGPLEYQYGHWNQM-GYUKHLAOSA-N

Species of Metabolite	Component	Source	Comments
Alternaria (ncbitaxon:5598)	-	DOI (10.1007/bf01116195)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Deferrihydroxycoprogen (CHEBI:226360) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(E)-5-[hydroxy-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-hydroxyamino]pentanoate

Manual Xrefs	Databases
78444238	ChemSpider