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CHEBI:225774 - Opantimycin A

ChEBI IDCHEBI:225774
ChEBI NameOpantimycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30N2O9
Net Charge0
Average Mass538.553
Monoisotopic Mass538.19513
SMILESC/C=C(\NC(=O)c1cccc(NC=O)c1O)C(=O)OC(C)C(=O)O[C@H]1[C@@H](Cc2ccccc2)OC(=O)C1(C)C
InChIInChI=1S/C28H30N2O9/c1-5-19(30-24(33)18-12-9-13-20(22(18)32)29-15-31)26(35)37-16(2)25(34)39-23-21(38-27(36)28(23,3)4)14-17-10-7-6-8-11-17/h5-13,15-16,21,23,32H,14H2,1-4H3,(H,29,31)(H,30,33)/b19-5-/t16?,21-,23+/m1/s1
InChIKeyBRZRVXWZGLSOSL-TXBIFTIGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27599762)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Opantimycin A (CHEBI:225774) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[1-[(2R,3R)-2-benzyl-4,4-dimethyl-5-oxooxolan-3-yl]oxy-1-oxopropan-2-yl] (Z)-2-[(3-ormamido-2-hydroxybenzoyl)amino]but-2-enoate
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78438785ChemSpider