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CHEBI:222291 - Coprisamide D

ChEBI IDCHEBI:222291
ChEBI NameCoprisamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H70N8O11
Net Charge0
Average Mass923.122
Monoisotopic Mass922.51641
SMILESCC(C)C/C=C/C=C/c1ccccc1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H]1COC(=O)[C@H]([C@H](C)C(=O)O)NC(=O)[C@H](CNC(=O)[C@@H](N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C47H70N8O11/c1-25(2)16-12-11-13-17-31-18-14-15-19-32(31)20-21-36(56)50-30(10)40(57)53-35-24-66-47(65)39(29(9)46(63)64)55-42(59)34(23-49-44(61)37(48)27(5)6)52-45(62)38(28(7)8)54-41(58)33(22-26(3)4)51-43(35)60/h11-15,17-21,25-30,33-35,37-39H,16,22-24,48H2,1-10H3,(H,49,61)(H,50,56)(H,51,60)(H,52,62)(H,53,57)(H,54,58)(H,55,59)(H,63,64)/b12-11+,17-13+,21-20+/t29-,30+,33+,34-,35+,37-,38-,39-/m0/s1
InChIKeyJMSMUKSEAVWMLS-DILUDIFQSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (33497210)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Coprisamide D (CHEBI:222291) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[(3S,6S,9S,12R,15R)-6-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-15-[[(2R)-2-[[(E)-3-[2-[(1E,3E)-6-methylhepta-1,3-dienyl]phenyl]prop-2-enoyl]amino]propanoyl]amino]-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]propanoic acid