Chrysogeamide C (CHEBI:225910)

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CHEBI:225910 - Chrysogeamide C

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ChEBI ID	CHEBI:225910
ChEBI Name	Chrysogeamide C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H59N5O7
Net Charge	0
Average Mass	685.907
Monoisotopic Mass	685.44145
SMILES	CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChI	InChI=1S/C37H59N5O7/c1-8-9-10-12-15-25(6)31-21-32(43)38-22-33(44)40-28(18-23(2)3)36(47)41-29(19-24(4)5)35(46)39-26(7)34(45)42-30(37(48)49-31)20-27-16-13-11-14-17-27/h11,13-14,16-17,23-26,28-31H,8-10,12,15,18-22H2,1-7H3,(H,38,43)(H,39,46)(H,40,44)(H,41,47)(H,42,45)/t25-,26-,28+,29+,30-,31-/m0/s1
InChIKey	BEFYXGMBMJSBNP-VXKOQRHQSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (30609359)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Chrysogeamide C (CHEBI:225910) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12R,19S)-3-benzyl-6-methyl-9,12-bis(2-methylpropyl)-19-[(2S)-octan-2-yl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
71116014	ChemSpider