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CHEBI:202999 - Bromoalterochromide A'

ChEBI IDCHEBI:202999
ChEBI NameBromoalterochromide A'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50BrN7O10
Net Charge0
Average Mass844.761
Monoisotopic Mass843.28025
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C=C/c2ccc(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C38H50BrN7O10/c1-20(2)16-27-38(55)56-22(5)33(45-31(50)13-11-9-7-6-8-10-12-23-14-15-28(47)24(39)17-23)37(54)46-32(21(3)4)36(53)43-26(19-30(41)49)34(51)42-25(18-29(40)48)35(52)44-27/h6-15,17,20-22,25-27,32-33,47H,16,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,52)(H,45,50)(H,46,54)/b8-6+,9-7+,12-10+,13-11+/t22-,25+,26+,27+,32+,33+/m1/s1
InChIKeyAZKKJPHFGXHXKQ-YRLMMGSCSA-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:202999) 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-3-(2-methylpropyl)-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
17264471ChemSpider