EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218606 - Bromoalterochromide A''

ChEBI IDCHEBI:218606
ChEBI NameBromoalterochromide A''
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48BrN7O10
Net Charge0
Average Mass830.734
Monoisotopic Mass829.26460
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C=C/c2ccc(O)c(Br)c2)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C37H48BrN7O10/c1-19(2)30-35(52)42-24(17-27(39)47)33(50)41-25(18-28(40)48)34(51)45-31(20(3)4)37(54)55-21(5)32(36(53)44-30)43-29(49)13-11-9-7-6-8-10-12-22-14-15-26(46)23(38)16-22/h6-16,19-21,24-25,30-32,46H,17-18H2,1-5H3,(H2,39,47)(H2,40,48)(H,41,50)(H,42,52)(H,43,49)(H,44,53)(H,45,51)/b8-6+,9-7+,12-10+,13-11+/t21-,24+,25+,30+,31+,32+/m1/s1
InChIKeyDTWSFVFVDGAUJA-DEZGTJEFSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas piscicida ATCC 15057 (ncbitaxon:1279016) - PubMed (25140825)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bromoalterochromide A'' (CHEBI:218606) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual XrefsDatabases
78442814ChemSpider