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CHEBI:202868 - Cryptophycin B

ChEBI IDCHEBI:202868
ChEBI NameCryptophycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44N2O8
Net Charge0
Average Mass620.743
Monoisotopic Mass620.30977
SMILESCOc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
InChIInChI=1S/C35H44N2O8/c1-21(2)18-29-35(41)43-28(23(4)31-32(45-31)25-10-7-6-8-11-25)12-9-13-30(38)37-27(19-24-14-16-26(42-5)17-15-24)33(39)36-20-22(3)34(40)44-29/h6-11,13-17,21-23,27-29,31-32H,12,18-20H2,1-5H3,(H,36,39)(H,37,38)/b13-9+/t22-,23+,27-,28+,29+,31-,32-/m1/s1
InChIKeyYFGZFQNBPSCWPN-FOLMERSESA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - DOI (10.1021/ja00090a020)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cryptophycin B (CHEBI:202868) is a peptide (CHEBI:16670)
IUPAC Name 
(3S,6R,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
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