WS-7338 A (CHEBI:198987)

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CHEBI:198987 - WS-7338 A

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ChEBI ID	CHEBI:198987
ChEBI Name	WS-7338 A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H42N6O7
Net Charge	0
Average Mass	598.701
Monoisotopic Mass	598.31150
SMILES	CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2cnc3ccccc23)NC1=O
InChI	InChI=1S/C30H42N6O7/c1-15(2)12-22-28(41)34-23(13-18-14-31-20-9-7-6-8-19(18)20)29(42)33-21(10-11-24(37)38)27(40)32-17(5)26(39)36-25(16(3)4)30(43)35-22/h6-9,14-17,21-23,25,31H,10-13H2,1-5H3,(H,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,39)(H,37,38)/t17-,21+,22+,23-,25-/m0/s1
InChIKey	VKWWONDOCUPZRG-YDPKVKSESA-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 A (CHEBI:198987) is a cyclic peptide (CHEBI:23449)

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

Manual Xrefs	Databases
78440763	ChemSpider