CHEBI:213689 - Neoantimycin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 D
ChEBI ID CHEBI:213689
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H46N2O11
Net Charge 0
Average Mass 670.756
Monoisotopic Mass 670.31016
InChI InChI=1S/C35H46N2O11/c1-8-19(4)28-33(43)45-20(5)25(37-30(40)22-15-12-16-23(36)26(22)38)31(41)47-27(18(2)3)32(42)46-24(17-21-13-10-9-11-14-21)29(39)35(6,7)34(44)48-28/h9-16,18-20,24-25,27-29,38-39H,8,17,36H2,1-7H3,(H,37,40)/t19-,20-,24+,25-,27-,28-,29-/m0/s1
InChIKey DRUZJKUYZFFVDZ-HKKCCTOYSA-N
SMILES O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(N)=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: 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 D (CHEBI:213689) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-amino-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]-2-hydroxybenzamide
Manual Xref Database
30825033 ChemSpider
View more database links