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CHEBI:205675 - Thalabetaospiramide H

ChEBI IDCHEBI:205675
ChEBI NameThalabetaospiramide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H62N6O11
Net Charge0
Average Mass814.978
Monoisotopic Mass814.44766
SMILESCCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C
InChIInChI=1S/C41H62N6O11/c1-7-8-9-10-11-12-13-14-33(51)43-30(22-48)37(53)44-31(23-49)38(54)46-35(25(2)3)39(55)42-28-17-20-34(52)45-36(26(4)5)40(56)47(6)32(41(57)58-24-28)21-27-15-18-29(50)19-16-27/h12-13,15-20,25-26,28,30-32,35-36,48-50H,7-11,14,21-24H2,1-6H3,(H,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)/b13-12-,20-17+/t28-,30+,31+,32+,35+,36+/m1/s1
InChIKeyOEEGFCHXNPOXNG-MCXMIEDZSA-N
Species of MetaboliteComponentSourceComments
Thalassospiraspecies (ncbitaxon:1912094) - PubMed (27875306)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thalabetaospiramide H (CHEBI:205675) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-N-[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(3S,6S,9E,11R)-3-[(4-hydroxyphenyl)methyl]-4-methyl-2,5,8-trioxo-6-propan-2-yl-1-oxa-4,7-diazacyclododec-9-en-11-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]dec-3-enamide
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