CHEBI:202764 - Neoantimycin F

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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 F
ChEBI ID CHEBI:202764
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H44N2O12
Net Charge 0
Average Mass 684.739
Monoisotopic Mass 684.28942
InChI InChI=1S/C35H44N2O12/c1-18(2)27-33(44)47-24(16-21-12-9-8-10-13-21)29(40)35(6,7)34(45)49-28(19(3)4)32(43)46-20(5)25(31(42)48-27)37-30(41)22-14-11-15-23(26(22)39)36-17-38/h8-15,17-20,24-25,27-29,39-40H,16H2,1-7H3,(H,36,38)(H,37,41)/t20-,24+,25-,27-,28-,29-/m0/s1
InChIKey SVFSHXNTOKYNKD-NMSMKCJHSA-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(C)C
Metabolite of Species Details
Streptomyces orinoci (NCBI:txid67339) See: PubMed
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 F (CHEBI:202764) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3S,6S,7S,10S,14R,15R)-15-benzyl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3,10-di(propan-2-yl)-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-ormamido-2-hydroxybenzamide
Manual Xref Database
30825035 ChemSpider
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