15G256gamma (CHEBI:206683)

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CHEBI:206683 - 15G256gamma

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ChEBI ID	CHEBI:206683
ChEBI Name	15G256gamma
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H42N4O9
Net Charge	0
Average Mass	614.696
Monoisotopic Mass	614.29518
SMILES	CCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CO)NC(=O)[C@@H](C(=O)c2cnc3ccccc23)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]1C
InChI	InChI=1S/C31H42N4O9/c1-4-5-6-7-10-17(2)27-18(3)28(40)33-22(13-14-24(37)38)29(41)35-25(30(42)34-23(16-36)31(43)44-27)26(39)20-15-32-21-12-9-8-11-19(20)21/h8-9,11-12,15,17-18,22-23,25,27,32,36H,4-7,10,13-14,16H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,37,38)/t17-,18+,22-,23+,25-,27+/m1/s1
InChIKey	AKOIRKAANAYPTN-DVEYVZNXSA-N

Species of Metabolite	Component	Source	Comments
Hypoxylon (ncbitaxon:42308)	-	PubMed (9589066)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	15G256gamma (CHEBI:206683) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
3-[(3S,6R,9R,12S,13S)-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-13-[(2R)-octan-2-yl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid

Manual Xrefs	Databases
78440225	ChemSpider