CHEBI:222246 - Rotihibin C

ChEBI IDCHEBI:222246
ChEBI NameRotihibin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65N11O13
Net Charge0
Average Mass859.980
Monoisotopic Mass859.47633
SMILESCCCCCCC/C=C\C(=O)NC(CCCNC(N)=O)C(=O)NC(C(=O)NC(CCNC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CO)CC(N)=O)C(O)C(N)=O)C(C)O
InChIInChI=1S/C36H65N11O13/c1-4-5-6-7-8-9-10-13-25(52)44-22(12-11-15-42-36(40)60)31(55)46-27(20(3)50)34(58)45-23(14-16-41-33(57)26(38)19(2)49)32(56)47-28(29(53)30(39)54)35(59)43-21(18-48)17-24(37)51/h10,13,19-23,26-29,48-50,53H,4-9,11-12,14-18,38H2,1-3H3,(H2,37,51)(H2,39,54)(H,41,57)(H,43,59)(H,44,52)(H,45,58)(H,46,55)(H,47,56)(H3,40,42,60)/b13-10-
InChIKeyRENUJGDPFXSMFV-RAXLEYEMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - PubMed (34346752)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rotihibin C (CHEBI:222246) is a polypeptide (CHEBI:15841)