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CHEBI:218636 - Dibromoalterochromide A'

ChEBI IDCHEBI:218636
ChEBI NameDibromoalterochromide A'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H49Br2N7O10
Net Charge0
Average Mass923.657
Monoisotopic Mass921.19076
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/c2cc(Br)c(O)c(Br)c2)[C@@H](C)OC1=O
InChIInChI=1S/C38H49Br2N7O10/c1-19(2)14-27-38(56)57-21(5)32(46-30(50)13-11-9-7-6-8-10-12-22-15-23(39)33(51)24(40)16-22)37(55)47-31(20(3)4)36(54)44-26(18-29(42)49)34(52)43-25(17-28(41)48)35(53)45-27/h6-13,15-16,19-21,25-27,31-32,51H,14,17-18H2,1-5H3,(H2,41,48)(H2,42,49)(H,43,52)(H,44,54)(H,45,53)(H,46,50)(H,47,55)/b8-6+,9-7+,12-10+,13-11+/t21-,25+,26+,27+,31+,32+/m1/s1
InChIKeyQYGWYWHHLSTRMY-GHTLAPQGSA-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 A' (CHEBI:218636) 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-(3,5-dibromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual XrefsDatabases
78442819ChemSpider