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CHEBI:218648 - Dibromoalterochromide B'

ChEBI IDCHEBI:218648
ChEBI NameDibromoalterochromide B'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H51Br2N7O10
Net Charge0
Average Mass949.695
Monoisotopic Mass947.20642
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/C=C/c2cc(Br)c(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C40H51Br2N7O10/c1-21(2)16-29-40(58)59-23(5)34(48-32(52)15-13-11-9-7-6-8-10-12-14-24-17-25(41)35(53)26(42)18-24)39(57)49-33(22(3)4)38(56)46-28(20-31(44)51)36(54)45-27(19-30(43)50)37(55)47-29/h6-15,17-18,21-23,27-29,33-34,53H,16,19-20H2,1-5H3,(H2,43,50)(H2,44,51)(H,45,54)(H,46,56)(H,47,55)(H,48,52)(H,49,57)/b7-6+,10-8+,11-9+,14-12+,15-13+/t23-,27+,28+,29+,33+,34+/m1/s1
InChIKeyLBEJWSOPKUTOEB-CSICQKJHSA-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:218648) 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-3-(2-methylpropyl)-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
78442821ChemSpider