EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210397 - Dibromoalterochromide D

ChEBI IDCHEBI:210397
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]([C@@H](C)CC)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C39H51Br2N7O10/c1-6-20(3)31-37(55)45-26(18-28(42)49)35(53)44-27(19-29(43)50)36(54)48-32(21(4)7-2)39(57)58-22(5)33(38(56)47-31)46-30(51)15-13-11-9-8-10-12-14-23-16-24(40)34(52)25(41)17-23/h8-17,20-22,26-27,31-33,52H,6-7,18-19H2,1-5H3,(H2,42,49)(H2,43,50)(H,44,53)(H,45,55)(H,46,51)(H,47,56)(H,48,54)/b10-8+,11-9+,14-12+,15-13+/t20-,21-,22+,26-,27+,31+,32+,33+/m0/s1
InChIKeyRIJDQFOTJONNBF-FLQWLISCSA-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:210397) 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)-3,12-bis[(2S)-butan-2-yl]-16-methyl-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