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CHEBI:217938 - Fusaricidin D

ChEBI IDCHEBI:217938
ChEBI NameFusaricidin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76N10O12
Net Charge0
Average Mass961.172
Monoisotopic Mass960.56442
SMILESCC1OC(=O)[C@@H](C)NC(=O)[C@@H](CCC(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/C46H76N10O12/c1-26(2)37-42(64)53-34(24-30-17-19-31(58)20-18-30)41(63)56-38(28(4)57)43(65)52-33(21-22-35(47)60)40(62)51-27(3)45(67)68-29(5)39(44(66)55-37)54-36(61)25-32(59)16-14-12-10-8-6-7-9-11-13-15-23-50-46(48)49/h17-20,26-29,32-34,37-39,57-59H,6-16,21-25H2,1-5H3,(H2,47,60)(H,51,62)(H,52,65)(H,53,64)(H,54,61)(H,55,66)(H,56,63)(H4,48,49,50)/t27-,28+,29?,32?,33-,34?,37-,38-,39+/m1/s1
InChIKeyHCNCOYXCNMBDQH-VUSFZIELSA-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 D (CHEBI:217938) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,15R,18S)-6-(3-amino-3-oxopropyl)-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
78445198ChemSpider