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CHEBI:208838 - Fusaricidin C

ChEBI IDCHEBI:208838
ChEBI NameFusaricidin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74N10O12
Net Charge0
Average Mass947.145
Monoisotopic Mass946.54877
SMILESCC1OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]1NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C45H74N10O12/c1-25(2)36-41(63)51-32(22-29-17-19-30(57)20-18-29)40(62)55-37(27(4)56)42(64)52-33(24-34(46)59)39(61)50-26(3)44(66)67-28(5)38(43(65)54-36)53-35(60)23-31(58)16-14-12-10-8-6-7-9-11-13-15-21-49-45(47)48/h17-20,25-28,31-33,36-38,56-58H,6-16,21-24H2,1-5H3,(H2,46,59)(H,50,61)(H,51,63)(H,52,64)(H,53,60)(H,54,65)(H,55,62)(H4,47,48,49)/t26-,27+,28?,31?,32?,33-,36-,37-,38+/m1/s1
InChIKeyZDWHXIUKVAAEQR-JWHDTRKBSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.7164/antibiotics.50.220)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fusaricidin C (CHEBI:208838) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,15R,18S)-6-(2-amino-2-oxoethyl)-9-[(1S)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual XrefsDatabases
78445246ChemSpider