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CHEBI:227262 - Eudistamide A

ChEBI IDCHEBI:227262
ChEBI NameEudistamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H90N14O13
Net Charge0
Average Mass1227.476
Monoisotopic Mass1226.68118
SMILESCc1ccccc1/C=C/C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)O[C@H]1C
InChIInChI=1S/C61H90N14O13/c1-33(2)29-43-56(83)74-50(35(5)6)58(85)67-37(8)52(79)68-42(24-25-47(62)76)53(80)66-32-49(78)75-28-16-22-46(75)57(84)69-41(21-15-27-65-61(63)64)54(81)72-45(30-34(3)4)60(87)88-38(9)51(73-48(77)26-23-40-20-14-13-17-36(40)7)59(86)71-44(55(82)70-43)31-39-18-11-10-12-19-39/h10-14,17-20,23,26,33-35,37-38,41-46,50-51H,15-16,21-22,24-25,27-32H2,1-9H3,(H2,62,76)(H,66,80)(H,67,85)(H,68,79)(H,69,84)(H,70,82)(H,71,86)(H,72,81)(H,73,77)(H,74,83)(H4,63,64,65)/b26-23+/t37-,38-,41+,42+,43+,44-,45+,46-,50-,51-/m0/s1
InChIKeyIOBPUOIYUROODH-GWLSDNDZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26273993)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Eudistamide A (CHEBI:227262) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(6R,9S,12S,15R,18S,21S,22S,25R,28R,31S)-18-benzyl-28-[3-(diaminomethylideneamino)propyl]-9,22-dimethyl-21-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-15,25-bis(2-methylpropyl)-2,5,8,11,14,17,20,24,27,30-decaoxo-12-propan-2-yl-23-oxa-1,4,7,10,13,16,19,26,29-nonazabicyclo[29.3.0]tetratriacontan-6-yl]propanamide
Manual XrefsDatabases
40256546ChemSpider