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CHEBI:210648 - Enduspeptide D

ChEBI IDCHEBI:210648
ChEBI NameEnduspeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H76N8O10
Net Charge0
Average Mass985.237
Monoisotopic Mass984.56844
SMILESCCC(=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](Cc2ccccc2)C(=O)O[C@H]1C
InChIInChI=1S/C53H76N8O10/c1-10-43(62)57-45-34(8)71-53(70)42(30-36-21-15-12-16-22-36)59(9)50(67)39(28-32(4)5)56-48(65)40-23-17-25-60(40)51(68)41-24-18-26-61(41)52(69)44(33(6)7)58-47(64)37(27-31(2)3)54-46(63)38(55-49(45)66)29-35-19-13-11-14-20-35/h11-16,19-22,31-34,37-42,44-45H,10,17-18,23-30H2,1-9H3,(H,54,63)(H,55,66)(H,56,65)(H,57,62)(H,58,64)/t34-,37-,38-,39-,40-,41-,42-,44-,45-/m0/s1
InChIKeyFXVOBNIIOPUMMN-ZSNSHJLYSA-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 D (CHEBI:210648) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,9S,12S,15S,18S,19S,22S,25S,28S)-15,22-dibenzyl-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]propanamide
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78441704ChemSpider