Cepafungin III (CHEBI:224608)

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CHEBI:224608 - Cepafungin III

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ChEBI ID	CHEBI:224608
ChEBI Name	Cepafungin III
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H42N4O6
Net Charge	0
Average Mass	506.644
Monoisotopic Mass	506.31044
SMILES	CC(C)CCC/C=C\C=C\C(=O)N[C@@H](C(=O)N[C@@H]1C[C@H](O)CCNC(=O)/C=C\[C@H](C)NC1=O)[C@@H](C)O
InChI	InChI=1S/C26H42N4O6/c1-17(2)10-8-6-5-7-9-11-23(34)30-24(19(4)31)26(36)29-21-16-20(32)14-15-27-22(33)13-12-18(3)28-25(21)35/h5,7,9,11-13,17-21,24,31-32H,6,8,10,14-16H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/b7-5-,11-9+,13-12-/t18-,19+,20+,21+,24+/m0/s1
InChIKey	ZQOSECHKDTUIEK-UJSSYPEASA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (2387772)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Cepafungin III (CHEBI:224608) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(2E,4Z)-N-[(2R,3R)-3-hydroxy-1-[[(3Z,5S,8R,10R)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-9-methyldeca-2,4-dienamide

Manual Xrefs	Databases
78443226	ChemSpider