Chrysogeamide B (CHEBI:225905)

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CHEBI:225905 - Chrysogeamide B

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ChEBI ID	CHEBI:225905
ChEBI Name	Chrysogeamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H57N5O7
Net Charge	0
Average Mass	623.836
Monoisotopic Mass	623.42580
SMILES	CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O1
InChI	InChI=1S/C32H57N5O7/c1-10-11-12-13-14-21(8)24-16-25(38)33-17-26(39)36-27(19(4)5)31(42)35-23(15-18(2)3)30(41)34-22(9)29(40)37-28(20(6)7)32(43)44-24/h18-24,27-28H,10-17H2,1-9H3,(H,33,38)(H,34,41)(H,35,42)(H,36,39)(H,37,40)/t21-,22-,23+,24-,27-,28-/m0/s1
InChIKey	OSDSZHQNFBBDRR-MIABJUDESA-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 B (CHEBI:225905) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
71116013	ChemSpider