EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209351 - Marformycin A

ChEBI IDCHEBI:209351
ChEBI NameMarformycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H68N8O10
Net Charge0
Average Mass857.063
Monoisotopic Mass856.50584
SMILESCC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCNN2C1=O
InChIInChI=1S/C43H68N8O10/c1-12-26(8)34-42(58)51-32(14-13-19-45-51)38(54)47-31(20-23(2)3)41(57)50(10)36(25(6)7)43(59)61-27(9)35(49-39(55)33(24(4)5)44-22-52)40(56)46-30(37(53)48-34)21-28-15-17-29(60-11)18-16-28/h15-18,22-27,30-36,45H,12-14,19-21H2,1-11H3,(H,44,52)(H,46,56)(H,47,54)(H,48,53)(H,49,55)/t26-,27+,30+,31-,32-,33-,34+,35-,36-/m0/s1
InChIKeyLURGILDDCOKZRE-QNNCKDESSA-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 A (CHEBI:209351) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(3R,6R,9S,10R,13S,16S,19S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-13-propan-2-yl-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-2-ormamido-3-methylbutanamide
Manual XrefsDatabases
34947483ChemSpider