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CHEBI:219579 - Rhizomide C

ChEBI IDCHEBI:219579
ChEBI NameRhizomide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N7O11
Net Charge0
Average Mass747.847
Monoisotopic Mass747.38031
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C35H53N7O11/c1-16(2)13-24(38-21(8)44)32(49)42-28-20(7)53-35(52)27(17(3)4)41-30(47)19(6)37-33(50)26(15-43)40-29(46)18(5)36-31(48)25(39-34(28)51)14-22-9-11-23(45)12-10-22/h9-12,16-20,24-28,43,45H,13-15H2,1-8H3,(H,36,48)(H,37,50)(H,38,44)(H,39,51)(H,40,46)(H,41,47)(H,42,49)/t18-,19-,20-,24+,25-,26+,27+,28+/m1/s1
InChIKeyKUBAMHGGFPLMHY-RMFMANMUSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica HKI 454 (ncbitaxon:882378) - PubMed (29666226)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rhizomide C (CHEBI:219579) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-acetamido-N-[(3S,6R,9S,12R,15R,18S,19R)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-6,12,19-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4-methylpentanamide