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CHEBI:207419 - Marformycin D

ChEBI IDCHEBI:207419
ChEBI NameMarformycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H70N8O11
Net Charge0
Average Mass887.089
Monoisotopic Mass886.51641
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@@H](C)CC)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/C44H70N8O11/c1-12-25(7)34(45-22-53)40(57)50-36-27(9)63-44(61)37(24(5)6)51(10)42(59)32(18-23(3)4)48-39(56)33-20-29(54)21-46-52(33)43(60)35(26(8)13-2)49-38(55)31(47-41(36)58)19-28-14-16-30(62-11)17-15-28/h14-17,22-27,29,31-37,46,54H,12-13,18-21H2,1-11H3,(H,45,53)(H,47,58)(H,48,56)(H,49,55)(H,50,57)/t25-,26+,27-,29+,31-,32+,33+,34+,35-,36+,37+/m1/s1
InChIKeyVWDLVQAYWYDQTI-KNOURTHNSA-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 D (CHEBI:207419) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3R)-N-[(3R,6R,9S,10R,13S,16S,19S,21S)-3-[(2S)-butan-2-yl]-21-hydroxy-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-methylpentanamide
Manual XrefsDatabases
34981701ChemSpider