Cepafungin I (CHEBI:224615)

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CHEBI:224615 - Cepafungin I

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ChEBI ID	CHEBI:224615
ChEBI Name	Cepafungin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H46N4O6
Net Charge	0
Average Mass	534.698
Monoisotopic Mass	534.34174
SMILES	CC(C)CCCCC/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/C28H46N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h7,9,11,13-15,19-23,26,33-34H,5-6,8,10,12,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b9-7+,13-11-,15-14-/t20-,21+,22+,23-,26-/m0/s1
InChIKey	SVHNVAFCZJDSIW-FDVUTKBWSA-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 I (CHEBI:224615) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(2Z,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10R)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide

Manual Xrefs	Databases
78443227	ChemSpider