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CHEBI:210663 - Enduspeptide F

ChEBI IDCHEBI:210663
ChEBI NameEnduspeptide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H78N8O11
Net Charge0
Average Mass1063.307
Monoisotopic Mass1062.57901
SMILESCC(C)CC(=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)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)O[C@H]1C
InChIInChI=1S/C58H78N8O11/c1-34(2)29-42-52(70)63-49(36(5)6)57(75)66-28-16-22-46(66)56(74)65-27-15-21-45(65)53(71)61-44(32-39-19-13-10-14-20-39)55(73)64(8)47(33-40-23-25-41(67)26-24-40)58(76)77-37(7)50(62-48(68)30-35(3)4)54(72)60-43(51(69)59-42)31-38-17-11-9-12-18-38/h9-14,17-20,23-26,34-37,42-47,49-50,67H,15-16,21-22,27-33H2,1-8H3,(H,59,69)(H,60,72)(H,61,71)(H,62,68)(H,63,70)/t37-,42-,43-,44-,45-,46-,47-,49-,50-/m0/s1
InChIKeyMGESVVTYLJXGOJ-JJQORNKHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tet.2016.12.033)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enduspeptide F (CHEBI:210663) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,9S,12S,15S,18S,19S,22S,25S,28S)-15,25-dibenzyl-22-[(4-hydroxyphenyl)methyl]-19,23-dimethyl-12-(2-methylpropyl)-2,8,11,14,17,21,24,27-octaoxo-9-propan-2-yl-20-oxa-1,7,10,13,16,23,26-heptazatricyclo[26.3.0.03,7]hentriacontan-18-yl]-3-methylbutanamide
Manual XrefsDatabases
78441706ChemSpider