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CHEBI:205204 - Bromoalterochromide A

ChEBI IDCHEBI:205204
ChEBI NameBromoalterochromide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50BrN7O10
Net Charge0
Average Mass844.761
Monoisotopic Mass843.28025
SMILESCCC(C)C1NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)/C=C/C=C/C=C/C=C/c2ccc(O)c(Br)c2)C(C)OC1=O
InChIInChI=1S/C38H50BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h7-17,20-22,25-26,31-33,47H,6,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b9-7+,10-8+,13-11+,14-12+
InChIKeyVJNFPXDPZJZUKS-NOEJSRFCSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas maricaloris (ncbitaxon:184924) - PubMed (17390587)
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:205204) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E)-N-[6,9-bis(2-amino-2-oxoethyl)-3-butan-2-yl-16-methyl-2,5,8,11,14-pentaoxo-12-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
78444102ChemSpider