EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218625 - Bromoalterochromide B''

ChEBI IDCHEBI:218625
ChEBI NameBromoalterochromide B''
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50BrN7O10
Net Charge0
Average Mass856.772
Monoisotopic Mass855.28025
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/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/C39H50BrN7O10/c1-21(2)32-37(54)44-26(19-29(41)49)35(52)43-27(20-30(42)50)36(53)47-33(22(3)4)39(56)57-23(5)34(38(55)46-32)45-31(51)15-13-11-9-7-6-8-10-12-14-24-16-17-28(48)25(40)18-24/h6-18,21-23,26-27,32-34,48H,19-20H2,1-5H3,(H2,41,49)(H2,42,50)(H,43,52)(H,44,54)(H,45,51)(H,46,55)(H,47,53)/b7-6+,10-8+,11-9+,14-12+,15-13+/t23-,26+,27+,32+,33+,34+/m1/s1
InChIKeyKALZLXXXCLDUKR-FNSDRRLQSA-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 B'' (CHEBI:218625) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E,10E)-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]-11-(3-bromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual XrefsDatabases
78442817ChemSpider