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CHEBI:218619 - Bromoalterochromide B'

ChEBI IDCHEBI:218619
ChEBI NameBromoalterochromide B'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52BrN7O10
Net Charge0
Average Mass870.799
Monoisotopic Mass869.29590
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/c2ccc(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C40H52BrN7O10/c1-22(2)18-29-40(57)58-24(5)35(47-33(52)15-13-11-9-7-6-8-10-12-14-25-16-17-30(49)26(41)19-25)39(56)48-34(23(3)4)38(55)45-28(21-32(43)51)36(53)44-27(20-31(42)50)37(54)46-29/h6-17,19,22-24,27-29,34-35,49H,18,20-21H2,1-5H3,(H2,42,50)(H2,43,51)(H,44,53)(H,45,55)(H,46,54)(H,47,52)(H,48,56)/b7-6+,10-8+,11-9+,14-12+,15-13+/t24-,27+,28+,29+,34+,35+/m1/s1
InChIKeyYUWZMTMMHSEFLE-UNNUVPEXSA-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:218619) 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-bromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
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78442816ChemSpider