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CHEBI:221717 - Largamide D oxazolidine

ChEBI IDCHEBI:221717
ChEBI NameLargamide D oxazolidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H80BrN9O16
Net Charge0
Average Mass1215.207
Monoisotopic Mass1213.49064
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC(=O)[C@H](O)CO)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@@H]2[C@H](C)O[C@@H]3CC[C@H](NC1=O)C(=O)N23
InChIInChI=1S/C56H80BrN9O16/c1-26(2)22-38-49(73)60-37-19-21-42-66(54(37)78)46(31(9)81-42)55(79)65(10)39(24-33-16-20-40(69)35(57)23-33)50(74)63-44(28(5)6)56(80)82-30(8)45(53(77)61-38)64-52(76)43(27(3)4)62-47(71)29(7)58-48(72)36(59-51(75)41(70)25-67)13-11-12-32-14-17-34(68)18-15-32/h14-18,20,23,26-31,36-39,41-46,67-70H,11-13,19,21-22,24-25H2,1-10H3,(H,58,72)(H,59,75)(H,60,73)(H,61,77)(H,62,71)(H,63,74)(H,64,76)/t29-,30+,31-,36-,37-,38-,39-,41+,42+,43-,44-,45-,46-/m0/s1
InChIKeyACEYNJYKEXLTFZ-XQVAVGLYSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (20631871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Largamide D oxazolidine (CHEBI:221717) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(1S,4S,7S,10R,11S,14S,17S,20R,22S)-4-[(3-bromo-4-hydroxyphenyl)methyl]-3,10,22-trimethyl-14-(2-methylpropyl)-2,5,8,12,15,24-hexaoxo-7-propan-2-yl-9,21-dioxa-3,6,13,16,23-pentazatricyclo[15.5.2.020,23]tetracosan-11-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-5-(4-hydroxyphenyl)pentanamide
Manual XrefsDatabases
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