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CHEBI:213689 - Neoantimycin D

ChEBI IDCHEBI:213689
ChEBI NameNeoantimycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46N2O11
Net Charge0
Average Mass670.756
Monoisotopic Mass670.31016
SMILESCC[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(N)c2O)[C@H](C)OC1=O
InChIInChI=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
InChIKeyDRUZJKUYZFFVDZ-HKKCCTOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces orinoci (ncbitaxon:67339) - PubMed (23932359)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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
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