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CHEBI:208605 - Bromomonamycin 2

ChEBI IDCHEBI:208605
ChEBI NameBromomonamycin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56BrN7O8
Net Charge0
Average Mass770.767
Monoisotopic Mass769.33737
SMILESCCC(C)[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2C[C@H](O)CNN2C(=O)[C@H]2CC(Br)CNN2C1=O
InChIInChI=1S/C34H56BrN7O8/c1-9-20(7)28-33(48)42-25(12-21(35)14-36-42)32(47)41-26(13-22(43)15-37-41)30(45)39(8)24(10-17(2)3)31(46)40-16-19(6)11-23(40)29(44)38-27(18(4)5)34(49)50-28/h17-28,36-37,43H,9-16H2,1-8H3,(H,38,44)/t19-,20?,21?,22+,23+,24-,25-,26+,27-,28+/m1/s1
InChIKeyHIBFFVQRFMDDPF-XYULKKIGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4790597)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bromomonamycin 2 (CHEBI:208605) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(1R,6S,8S,11R,15R,17S,20R,23S)-28-bromo-23-butan-2-yl-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20-propan-2-yl-22-oxa-3,4,10,13,19,25,26-heptazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Manual XrefsDatabases
78439835ChemSpider