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CHEBI:210642 - Enduspeptide C

ChEBI IDCHEBI:210642
ChEBI NameEnduspeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H78N8O11
Net Charge0
Average Mass1015.263
Monoisotopic Mass1014.57901
SMILESCCCC(=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](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)O[C@H]1C
InChIInChI=1S/C54H78N8O11/c1-10-16-44(64)58-46-34(8)73-54(72)43(30-36-21-23-37(63)24-22-36)60(9)51(69)40(28-32(4)5)57-49(67)41-19-14-25-61(41)52(70)42-20-15-26-62(42)53(71)45(33(6)7)59-48(66)38(27-31(2)3)55-47(65)39(56-50(46)68)29-35-17-12-11-13-18-35/h11-13,17-18,21-24,31-34,38-43,45-46,63H,10,14-16,19-20,25-30H2,1-9H3,(H,55,65)(H,56,68)(H,57,67)(H,58,64)(H,59,66)/t34-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
InChIKeyBZKVLXJVWLMVID-FPOFEUNNSA-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 C (CHEBI:210642) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,9S,12S,15S,18S,19S,22S,25S,28S)-15-benzyl-22-[(4-hydroxyphenyl)methyl]-19,23-dimethyl-12,25-bis(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]butanamide
Manual XrefsDatabases
78441703ChemSpider