Chrysogeamide D (CHEBI:225915)

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CHEBI:225915 - Chrysogeamide D

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ChEBI ID	CHEBI:225915
ChEBI Name	Chrysogeamide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H51N5O7
Net Charge	0
Average Mass	629.799
Monoisotopic Mass	629.37885
SMILES	CC[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/C33H51N5O7/c1-8-21(6)27-17-28(39)34-18-29(40)36-24(14-19(2)3)32(43)37-25(15-20(4)5)31(42)35-22(7)30(41)38-26(33(44)45-27)16-23-12-10-9-11-13-23/h9-13,19-22,24-27H,8,14-18H2,1-7H3,(H,34,39)(H,35,42)(H,36,40)(H,37,43)(H,38,41)/t21-,22-,24+,25+,26-,27-/m0/s1
InChIKey	HGTQKQGUQIZRAJ-XISQYIGNSA-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 D (CHEBI:225915) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
71116015	ChemSpider