Actinoramide B (CHEBI:198046)

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CHEBI:198046 - Actinoramide B

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ChEBI ID	CHEBI:198046
ChEBI Name	Actinoramide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H48N6O9
Net Charge	0
Average Mass	660.769
Monoisotopic Mass	660.34828
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]1CCN(C(C)=O)C1=O)[C@H](O)C(C)C
InChI	InChI=1S/C32H48N6O9/c1-18(2)27(41)26(36-25(40)17-47-5)32(46)38-24(12-9-14-33-38)30(44)35-23(16-21-10-7-6-8-11-21)28(42)19(3)29(43)34-22-13-15-37(20(4)39)31(22)45/h6-8,10-11,18-19,22-24,26-28,33,41-42H,9,12-17H2,1-5H3,(H,34,43)(H,35,44)(H,36,40)/t19-,22-,23-,24-,26+,27+,28-/m0/s1
InChIKey	AEHYYRHLFKWEDT-SZUFJOJHSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (21857753)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Actinoramide B (CHEBI:198046) is a peptide (CHEBI:16670)

IUPAC Name
(3S)-N-[(2S,3S,4S)-5-[[(3S)-1-acetyl-2-oxopyrrolidin-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
58925101	ChemSpider