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CHEBI:218641 - Dibromoalterochromide B

ChEBI IDCHEBI:218641
ChEBI NameDibromoalterochromide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H51Br2N7O10
Net Charge0
Average Mass949.695
Monoisotopic Mass947.20642
SMILESCC[C@@H](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/C=C/c2cc(Br)c(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C40H51Br2N7O10/c1-6-22(4)33-40(58)59-23(5)34(47-31(52)16-14-12-10-8-7-9-11-13-15-24-17-25(41)35(53)26(42)18-24)39(57)48-32(21(2)3)38(56)46-27(19-29(43)50)36(54)45-28(20-30(44)51)37(55)49-33/h7-18,21-23,27-28,32-34,53H,6,19-20H2,1-5H3,(H2,43,50)(H2,44,51)(H,45,54)(H,46,56)(H,47,52)(H,48,57)(H,49,55)/b8-7+,11-9+,12-10+,15-13+,16-14+/t22-,23-,27+,28+,32+,33+,34+/m1/s1
InChIKeyHTBRFQWHWBVFDI-OYJGWVIESA-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)
Dibromoalterochromide B (CHEBI:218641) 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)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(3,5-dibromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual XrefsDatabases
78442820ChemSpider