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CHEBI:198243 - IC101

ChEBI IDCHEBI:198243
ChEBI NameIC101
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66N8O13
Net Charge0
Average Mass855.000
Monoisotopic Mass854.47493
SMILESCCC1OC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)NCC(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)OC2C(C)C)CCC1CCC(C)C
InChIInChI=1S/C39H66N8O13/c1-9-28-25(15-14-21(2)3)16-17-39(56,60-28)38(8,55)37(54)43-30-31(22(4)5)59-36(53)24(7)47(58)33(50)26-12-10-18-41-44(26)29(48)20-40-32(49)23(6)46(57)34(51)27-13-11-19-42-45(27)35(30)52/h21-28,30-31,41-42,55-58H,9-20H2,1-8H3,(H,40,49)(H,43,54)
InChIKeyYDIQSISNBHYDIP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8270487)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
IC101 (CHEBI:198243) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-(7,21-dihydroxy-6,20-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-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxypropanamide
Manual XrefsDatabases
8186391ChemSpider