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CHEBI:210078 - Marformycin B

ChEBI IDCHEBI:210078
ChEBI NameMarformycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H70N8O10
Net Charge0
Average Mass871.090
Monoisotopic Mass870.52149
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)N2NCCC[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/C44H70N8O10/c1-12-26(7)34(45-23-53)40(56)50-36-28(9)62-44(60)37(25(5)6)51(10)42(58)32(21-24(3)4)48-39(55)33-15-14-20-46-52(33)43(59)35(27(8)13-2)49-38(54)31(47-41(36)57)22-29-16-18-30(61-11)19-17-29/h16-19,23-28,31-37,46H,12-15,20-22H2,1-11H3,(H,45,53)(H,47,57)(H,48,55)(H,49,54)(H,50,56)/t26-,27+,28-,31-,32+,33+,34+,35-,36+,37+/m1/s1
InChIKeyHXFWPNXPSPZSFJ-KFUBJHMNSA-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 B (CHEBI:210078) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3R)-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-methylpentanamide
Manual XrefsDatabases
34981700ChemSpider