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CHEBI:204262 - SEK-1005

ChEBI IDCHEBI:204262
ChEBI NameSEK-1005
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H70N8O13
Net Charge0
Average Mass931.098
Monoisotopic Mass930.50623
SMILESCC(C)CC1CCC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)N(C)C(Cc3ccccc3)C(=O)N3NCCCC3C(=O)NC(CO)C(=O)OC2C(C)C)OC1C
InChIInChI=1S/C45H70N8O13/c1-25(2)22-30-18-19-45(63,66-28(30)6)44(7,62)43(61)49-35-36(26(3)4)65-42(60)31(24-54)48-37(55)32-16-12-20-46-51(32)39(57)34(23-29-14-10-9-11-15-29)50(8)38(56)27(5)53(64)40(58)33-17-13-21-47-52(33)41(35)59/h9-11,14-15,25-28,30-36,46-47,54,62-64H,12-13,16-24H2,1-8H3,(H,48,55)(H,49,61)
InChIKeyCQRHYPCUIMZJPK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces nobilis (ncbitaxon:66901) - DOI (10.1016/s0014-2999(00)00017-0)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SEK-1005 (CHEBI:204262) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[3-benzyl-7-hydroxy-20-(hydroxymethyl)-4,6-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
Manual XrefsDatabases
8073394ChemSpider