Bacillamidin B (CHEBI:214119)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Bacillamidin B

ChEBI ID	CHEBI:214119

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB4232504, eMolecules:478751, ZINC000000156682

Download	Molfile XML SDF

Formula

C19H35NO5

Net Charge

Average Mass

357.491

Monoisotopic Mass

357.25152

InChI

InChI=1S/C19H35NO5/c1-5-15(2)12-10-8-6-7-9-11-13-17(21)20-16(19(23)25-4)14-18(22)24-3/h15-16H,5-14H2,1-4H3,(H,20,21)/t15?,16-/m1/s1

InChIKey

XSWVXEKKEXEEKJ-OEMAIJDKSA-N

SMILES

O=C(OC)[C@H](NC(=O)CCCCCCCCC(CC)C)CC(=O)OC

Metabolite of Species	Details
Bacillus (NCBI:txid1386)	See: PubMed

ChEBI Ontology
Outgoing	Bacillamidin B (CHEBI:214119) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

dimethyl (2R)-2-(10-methyldodecanoylamino)butanedioate