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CHEBI:226867 - Marformycin C

ChEBI IDCHEBI:226867
ChEBI NameMarformycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H68N8O11
Net Charge0
Average Mass873.062
Monoisotopic Mass872.50075
SMILESCC[C@@H](C)[C@H](NC=O)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C(C)C)C(=O)N2NC[C@@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C43H68N8O11/c1-12-25(8)34(44-21-52)39(56)49-35-26(9)62-43(60)36(24(6)7)50(10)41(58)31(17-22(2)3)47-38(55)32-19-28(53)20-45-51(32)42(59)33(23(4)5)48-37(54)30(46-40(35)57)18-27-13-15-29(61-11)16-14-27/h13-16,21-26,28,30-36,45,53H,12,17-20H2,1-11H3,(H,44,52)(H,46,57)(H,47,55)(H,48,54)(H,49,56)/t25-,26-,28+,30-,31+,32+,33-,34+,35+,36+/m1/s1
InChIKeyRXMDKFNPKLMBJB-YJKWTHAISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2014.02.007)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Marformycin C (CHEBI:226867) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3R)-2-ormamido-N-[(3R,6R,9S,10R,13S,16S,19S,21S)-21-hydroxy-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-3,13-di(propan-2-yl)-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-3-methylpentanamide
Manual XrefsDatabases
34981692ChemSpider