WS-7338 C (CHEBI:215069)

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CHEBI:215069 - WS-7338 C

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ChEBI ID	CHEBI:215069
ChEBI Name	WS-7338 C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H44N6O7
Net Charge	0
Average Mass	612.728
Monoisotopic Mass	612.32715
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O
InChI	InChI=1S/C31H44N6O7/c1-16(2)12-23-29(42)36-24(13-17(3)4)30(43)37-25(14-19-15-32-21-9-7-6-8-20(19)21)31(44)34-22(10-11-26(38)39)28(41)33-18(5)27(40)35-23/h6-9,15-18,22-25,32H,10-14H2,1-5H3,(H,33,41)(H,34,44)(H,35,40)(H,36,42)(H,37,43)(H,38,39)/t18-,22+,23-,24+,25-/m0/s1
InChIKey	HDXCQTKSXNYXGI-WXJVVRSYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (1312521)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	WS-7338 C (CHEBI:215069) is a cyclic peptide (CHEBI:23449)

IUPAC Name
3-[(2R,5S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5-methyl-8,11-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanoic acid

Manual Xrefs	Databases
78441138	ChemSpider