Padanamide B (CHEBI:218419)

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CHEBI:218419 - Padanamide B

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ChEBI ID	CHEBI:218419
ChEBI Name	Padanamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H46N6O9
Net Charge	0
Average Mass	646.742
Monoisotopic Mass	646.33263
SMILES	COCC(=O)N[C@@H](C(=O)N1NCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](C)C(=O)N[C@H]1CCC(=O)NC1=O)[C@H](O)C(C)C
InChI	InChI=1S/C31H46N6O9/c1-17(2)26(40)25(35-24(39)16-46-4)31(45)37-22(11-8-14-32-37)30(44)34-21(15-19-9-6-5-7-10-19)27(41)18(3)28(42)33-20-12-13-23(38)36-29(20)43/h5-7,9-10,17-18,20-22,25-27,32,40-41H,8,11-16H2,1-4H3,(H,33,42)(H,34,44)(H,35,39)(H,36,38,43)/t18-,20-,21-,22-,25+,26+,27-/m0/s1
InChIKey	HVEJTNNFGWKHNS-GYNFZRGZSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (21749075)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Padanamide B (CHEBI:218419) is a peptide (CHEBI:16670)

IUPAC Name
(3S)-N-[(2S,3S,4S)-5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide

Manual Xrefs	Databases
28185040	ChemSpider