Apicidin D3 (CHEBI:210433)

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CHEBI:210433 - Apicidin D3

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ChEBI ID	CHEBI:210433
ChEBI Name	Apicidin D3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H51N5O6
Net Charge	0
Average Mass	625.811
Monoisotopic Mass	625.38393
SMILES	CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(C)O)NC(=O)[C@H]2CCCCN2C1=O
InChI	InChI=1S/C34H51N5O6/c1-5-22(2)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-6-8-14-23(3)40)31(41)36-27(32(42)37-30)20-24-21-39(45-4)28-17-11-10-15-25(24)28/h10-11,15,17,21-23,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,23?,26-,27-,29+,30-/m0/s1
InChIKey	PCPGDKJMCJKQBE-KUAULRTKSA-N

Species of Metabolite	Component	Source	Comments
Fusariumspecies (ncbitaxon:29916)	-	PubMed (11856024)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Apicidin D3 (CHEBI:210433) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12R)-3-butan-2-yl-9-(7-hydroxyoctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Manual Xrefs	Databases
9127508	ChemSpider