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CHEBI:212814 - Tutuilamide C

ChEBI IDCHEBI:212814
ChEBI NameTutuilamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64ClN7O11
Net Charge0
Average Mass950.531
Monoisotopic Mass949.43523
SMILESC/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C/C(=C/Cl)CC)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
InChIInChI=1S/C48H64ClN7O11/c1-9-29(25-49)24-37(58)52-39(26(3)4)44(62)54-41-28(7)67-48(66)40(27(5)6)53-43(61)35(22-31-16-18-32(57)19-17-31)55(8)47(65)36(23-30-14-12-11-13-15-30)56-38(59)21-20-34(46(56)64)51-42(60)33(10-2)50-45(41)63/h10-19,25-28,34-36,38-41,57,59H,9,20-24H2,1-8H3,(H,50,63)(H,51,60)(H,52,58)(H,53,61)(H,54,62)/b29-25+,33-10-/t28-,34+,35+,36+,38-,39+,40+,41+/m1/s1
InChIKeyACRBPKVYYHBULA-XUHCOFKKSA-N
Species of MetaboliteComponentSourceComments
Schizothrix (ncbitaxon:240294) - PubMed (31935054)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tutuilamide C (CHEBI:212814) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3E)-N-[(2S)-1-[[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-(chloromethylidene)pentanamide
Manual XrefsDatabases
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