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CHEBI:213853 - Cryptophycin F

ChEBI IDCHEBI:213853
ChEBI NameCryptophycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39ClN2O8
Net Charge0
Average Mass591.101
Monoisotopic Mass590.23949
SMILESCOC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccc(OC)c(Cl)c1)NC(=O)/C=C/C[C@H](O)[C@H](C)[C@@H](O)[C@@H](O)c1ccccc1
InChIInChI=1S/C30H39ClN2O8/c1-18(30(39)41-4)17-32-29(38)23(16-20-13-14-25(40-3)22(31)15-20)33-26(35)12-8-11-24(34)19(2)27(36)28(37)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,34,36-37H,11,16-17H2,1-4H3,(H,32,38)(H,33,35)/b12-8+/t18-,19+,23+,24+,27-,28+/m1/s1
InChIKeyVIMVAIVZDDHRDJ-ZTTOAXQJSA-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 F (CHEBI:213853) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoate
Manual XrefsDatabases
8161464ChemSpider