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CHEBI:205635 - Thalabetaospiramide A10

ChEBI IDCHEBI:205635
ChEBI NameThalabetaospiramide A10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H73N7O13
Net Charge0
Average Mass932.126
Monoisotopic Mass931.52664
SMILESCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=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)C(C)C
InChIInChI=1S/C46H73N7O13/c1-9-10-11-12-13-14-36(58)48-33(24-55)42(61)52-40(27(4)5)44(63)49-32(23-54)35(57)22-38(60)51-39(26(2)3)43(62)47-30-17-20-37(59)50-41(28(6)7)45(64)53(8)34(46(65)66-25-30)21-29-15-18-31(56)19-16-29/h15-20,26-28,30,32-35,39-41,54-57H,9-14,21-25H2,1-8H3,(H,47,62)(H,48,58)(H,49,63)(H,50,59)(H,51,60)(H,52,61)/b20-17+/t30-,32+,33+,34+,35+,39+,40+,41+/m1/s1
InChIKeyAUXLHZFWDLSFFN-MEKHSURISA-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 A10 (CHEBI:205635) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1,3-dihydroxy-5-[[(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]-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]octanamide
Manual XrefsDatabases
60597195ChemSpider