Penicimutalide G (CHEBI:227055)

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CHEBI:227055 - Penicimutalide G

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ChEBI ID	CHEBI:227055
ChEBI Name	Penicimutalide G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H39N5O6
Net Charge	0
Average Mass	457.572
Monoisotopic Mass	457.29003
SMILES	CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
InChI	InChI=1S/C21H39N5O6/c1-2-3-4-5-6-7-8-9-14(27)12-19(30)25-16(13-18(23)29)21(32)26-15(20(24)31)10-11-17(22)28/h14-16,27H,2-13H2,1H3,(H2,22,28)(H2,23,29)(H2,24,31)(H,25,30)(H,26,32)/t14-,15+,16+/m1/s1
InChIKey	HUHSMTZGBMUTFN-PMPSAXMXSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces purpureogenus (ncbitaxon:1266744)	-	PubMed (24686557)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Penicimutalide G (CHEBI:227055) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]pentanediamide

Manual Xrefs	Databases
32674981	ChemSpider