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CHEBI:224647 - Fijimycin C

ChEBI IDCHEBI:224647
ChEBI NameFijimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62N8O12
Net Charge0
Average Mass895.024
Monoisotopic Mass894.44872
SMILESCC(C)C[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@H](CO)NC(=O)[C@H](C(C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C44H62N8O12/c1-23(2)18-29-42(61)52-20-28(54)19-31(52)43(62)49(7)21-33(56)50(8)36(25(5)24(3)4)40(59)47-30(22-53)41(60)51(9)37(27-14-11-10-12-15-27)44(63)64-26(6)34(38(57)46-29)48-39(58)35-32(55)16-13-17-45-35/h10-17,23-26,28-31,34,36-37,53-55H,18-22H2,1-9H3,(H,46,57)(H,47,59)(H,48,58)/t25?,26-,28-,29-,30+,31-,34+,36+,37+/m1/s1
InChIKeyKDTSWOUKAXSMRA-BSRLCFGTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21745747)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fijimycin C (CHEBI:224647) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-hydroxy-N-[(3R,6S,7R,10S,13S,16S,22R,24R)-24-hydroxy-13-(hydroxymethyl)-7,11,17,20-tetramethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Manual XrefsDatabases
27025755ChemSpider