CHEBI:215310 - Neoantimycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Neoantimycin
ChEBI ID CHEBI:215310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H46N2O12
Net Charge 0
Average Mass 698.766
Monoisotopic Mass 698.30507
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
SMILES O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)O[C@H](C(O[C@@H]([C@@H](C1(C)C)O)CC3=CC=CC=C3)=O)C(C)C)C)[C@H](CC)C
Metabolite of Species Details
Streptomyces orinoci (NCBI:txid67339) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
30825038 ChemSpider
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