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CHEBI:210637 - Enduspeptide B

ChEBI IDCHEBI:210637
ChEBI NameEnduspeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H74N8O11
Net Charge0
Average Mass987.209
Monoisotopic Mass986.54771
SMILESCC(=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/C52H74N8O11/c1-29(2)25-37-46(64)57-43(31(5)6)51(69)60-24-14-18-41(60)50(68)59-23-13-17-40(59)47(65)56-39(26-30(3)4)49(67)58(9)42(28-35-19-21-36(62)22-20-35)52(70)71-32(7)44(53-33(8)61)48(66)55-38(45(63)54-37)27-34-15-11-10-12-16-34/h10-12,15-16,19-22,29-32,37-44,62H,13-14,17-18,23-28H2,1-9H3,(H,53,61)(H,54,63)(H,55,66)(H,56,65)(H,57,64)/t32-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKeyGPZKACUYSXLPFP-AXEPVUOPSA-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 B (CHEBI:210637) 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]acetamide
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78441702ChemSpider