N',N'',N'''-triacetylfusarinine C (CHEBI:60481)

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CHEBI:60481 - N',N'',N'''-triacetylfusarinine C

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ChEBI ID	CHEBI:60481
ChEBI Name	N',N'',N'''-triacetylfusarinine C
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ASCII Name	N',N'',N'''-triacetylfusarinine C
Definition	An hydroxamate siderophore produced by several fungal species.
Last Modified	18 October 2024
Submitter	Jane Lomax
Downloads	Molfile

Formula	C39H57FeN6O15
Net Charge	0
Average Mass	905.757
Monoisotopic Mass	905.32313
SMILES	CC(=O)N[C@H]1CCCN2[O][Fe-3]3456[O]N(CCC[C@H](NC(C)=O)C(=O)OCC/C(C)=C\C(=[O+]3)N(CCC[C@H](NC(C)=O)C(=O)OCC/C(C)=C\C2=[O+]4)[O]5)C(=[O+]6)/C=C(/C)CCOC1=O
InChI	InChI=1S/C39H57N6O15.Fe/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25;/h22-24,31-33H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48);/q-3;+3/b25-22-,26-24-,27-23-;/t31-,32-,33-;/m0./s1
InChIKey	UIVTVLVVAXJPKM-IJGXQDLJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N',N'',N'''-triacetylfusarinine C (CHEBI:60481) is a iron coordination entity (CHEBI:33892)
	N',N'',N'''-triacetylfusarinine C (CHEBI:60481) is a organonitrogen compound (CHEBI:35352)

IUPAC Name
{N,N',N''-[(3S,9Z,15S,21Z,27S,33Z)-7,19,31-tri(hydroxy-κO)-10,22,34-trimethyl-2,14,26-trioxo-8,20,32-tri(oxo-κO)-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-3,15,27-triyl]triacetamidato(3−)}iron

Synonyms	Source
ferric triacetylfusarinine C	SUBMITTER
N,N,N-triacetylfusarinine C	ChEBI
TAF	SUBMITTER
triacetylfusarinine C	SUBMITTER
triacetylfusigen	SUBMITTER

UniProt Name	Source
triacetylfusarinine C	UniProt

Manual Xrefs	Databases
C00053860	KNApSAcK

Registry Numbers	Sources
CAS:59200-35-0	ChemIDplus

Citations