AS1387392 (CHEBI:205818)

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CHEBI:205818 - AS1387392

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ChEBI ID	CHEBI:205818
ChEBI Name	AS1387392
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H42N4O6
Net Charge	0
Average Mass	542.677
Monoisotopic Mass	542.31044
SMILES	CC[C@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI	InChI=1S/C29H42N4O6/c1-4-29(3)28(39)31-22(18-20-12-7-5-8-13-20)27(38)33-17-11-15-23(33)26(37)30-21(25(36)32-29)14-9-6-10-16-24(35)19(2)34/h5,7-8,12-13,19,21-23,34H,4,6,9-11,14-18H2,1-3H3,(H,30,37)(H,31,39)(H,32,36)/t19-,21+,22+,23-,29+/m1/s1
InChIKey	XQURZRWZWZDDKH-XLSSLVJHSA-N

Species of Metabolite	Component	Source	Comments
Acremonium (ncbitaxon:159075)	-	PubMed (20588300)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	AS1387392 (CHEBI:205818) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3S,6S,9S,12R)-3-benzyl-6-ethyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Manual Xrefs	Databases
23332861	ChemSpider