Roseocardin (CHEBI:204128)

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CHEBI:204128 - Roseocardin

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ChEBI ID	CHEBI:204128
ChEBI Name	Roseocardin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H53N5O7
Net Charge	0
Average Mass	607.793
Monoisotopic Mass	607.39450
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChI	InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)/t19-,20-,21-,22+,24-,25-,26-/m0/s1
InChIKey	IXHIUUIJSWNPTJ-AIOHJFOTSA-N

Species of Metabolite	Component	Source	Comments
Trichothecium (ncbitaxon:231006)	-	PubMed (9510906)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Roseocardin (CHEBI:204128) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,10S,13S,16S,19S,20S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Manual Xrefs	Databases
8092510	ChemSpider