Neoantimycin (CHEBI:215310)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215310 - Neoantimycin

Take structure to advanced search

ChEBI ID	CHEBI:215310
ChEBI Name	Neoantimycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H46N2O12
Net Charge	0
Average Mass	698.766
Monoisotopic Mass	698.30507
SMILES	CC[C@H](C)[C@@H]1OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@H](C)OC1=O
InChI	InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20-,21-,25+,26-,28-,29-,30-/m0/s1
InChIKey	JIJATTFJYJZEBT-MDDNAQDNSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces orinoci (ncbitaxon:67339)	-	DOI (10.1016/s0040-4020(01)82768-x)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Neoantimycin (CHEBI:215310) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-ormamido-2-hydroxybenzamide

Manual Xrefs	Databases
30825038	ChemSpider