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CHEBI:218614 - Bromoalterochromide B

ChEBI IDCHEBI:218614
ChEBI NameBromoalterochromide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52BrN7O10
Net Charge0
Average Mass870.799
Monoisotopic Mass869.29590
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/c2ccc(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C40H52BrN7O10/c1-6-23(4)34-40(57)58-24(5)35(46-32(52)16-14-12-10-8-7-9-11-13-15-25-17-18-29(49)26(41)19-25)39(56)47-33(22(2)3)38(55)45-27(20-30(42)50)36(53)44-28(21-31(43)51)37(54)48-34/h7-19,22-24,27-28,33-35,49H,6,20-21H2,1-5H3,(H2,42,50)(H2,43,51)(H,44,53)(H,45,55)(H,46,52)(H,47,56)(H,48,54)/b8-7+,11-9+,12-10+,15-13+,16-14+/t23-,24-,27+,28+,33+,34+,35+/m1/s1
InChIKeyNZJQBXKEZKQLLD-NMQNFTODSA-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:218614) 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-bromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
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