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CHEBI:210402 - Dibromoalterochromide D'

ChEBI IDCHEBI:210402
ChEBI NameDibromoalterochromide D'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51Br2N7O10
Net Charge0
Average Mass937.684
Monoisotopic Mass935.20642
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H](NC(=O)/C=C/C=C/C=C/C=C/c2cc(Br)c(O)c(Br)c2)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C39H51Br2N7O10/c1-6-21(4)32-37(55)45-27(19-30(43)50)35(53)44-26(18-29(42)49)36(54)46-28(15-20(2)3)39(57)58-22(5)33(38(56)48-32)47-31(51)14-12-10-8-7-9-11-13-23-16-24(40)34(52)25(41)17-23/h7-14,16-17,20-22,26-28,32-33,52H,6,15,18-19H2,1-5H3,(H2,42,49)(H2,43,50)(H,44,53)(H,45,55)(H,46,54)(H,47,51)(H,48,56)/b9-7+,10-8+,13-11+,14-12+/t21-,22+,26+,27-,28+,32+,33+/m0/s1
InChIKeyBMHWCYYKRGEVLI-CYJIOLPBSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies (ncbitaxon:53249) - PubMed (32899199)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dibromoalterochromide D' (CHEBI:210402) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E)-N-[(3R,6R,9S,12R,15R,16R)-6,9-bis(2-amino-2-oxoethyl)-12-[(2S)-butan-2-yl]-16-methyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3,5-dibromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide