Cyclotine (CHEBI:221242)

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CHEBI:221242 - Cyclotine

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ChEBI ID	CHEBI:221242
ChEBI Name	Cyclotine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H33N5O7
Net Charge	0
Average Mass	503.556
Monoisotopic Mass	503.23800
SMILES	CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)C[C@H](c2ccccc2)NC(=O)[C@H](CO)NC1=O
InChI	InChI=1S/C24H33N5O7/c1-2-15-21(33)28-17(12-30)22(34)27-16(14-7-4-3-5-8-14)11-20(32)25-18(13-31)24(36)29-10-6-9-19(29)23(35)26-15/h3-5,7-8,15-19,30-31H,2,6,9-13H2,1H3,(H,25,32)(H,26,35)(H,27,34)(H,28,33)/t15-,16+,17-,18-,19-/m0/s1
InChIKey	JAPQCCQLPMCXRC-PJVZLEMVSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces islandicus (ncbitaxon:28573)	-	PubMed (26954535)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cyclotine (CHEBI:221242) is a peptide (CHEBI:16670)

IUPAC Name
(3S,7R,10S,13S,16S)-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone