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CHEBI:224294 - SNA-60-367-21

ChEBI IDCHEBI:224294
ChEBI NameSNA-60-367-21
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H116N12O19
Net Charge0
Average Mass1489.818
Monoisotopic Mass1488.84797
SMILESCCC(C)CCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(cc2)OC(=O)C(C(C)CC)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC1=O
InChIInChI=1S/C75H116N12O19/c1-8-45(5)22-18-16-14-12-10-11-13-15-17-19-25-60(91)78-53(35-38-61(92)93)67(97)79-52(23-20-40-76)66(96)82-57-43-49-28-32-51(33-29-49)106-75(105)64(46(6)9-2)85-70(100)56(42-48-26-30-50(89)31-27-48)83-68(98)54(34-37-59(77)90)80-72(102)58-24-21-41-87(58)74(104)63(44(3)4)84-69(99)55(36-39-62(94)95)81-73(103)65(47(7)88)86-71(57)101/h26-33,44-47,52-58,63-65,88-89H,8-25,34-43,76H2,1-7H3,(H2,77,90)(H,78,91)(H,79,97)(H,80,102)(H,81,103)(H,82,96)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,92,93)(H,94,95)
InChIKeyNKPGDCUBFQWJBK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (14563162)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SNA-60-367-21 (CHEBI:224294) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-19-propan-2-yl-2-oxa-5,8,11,17,20,23,26-heptazatricyclo[28.2.2.013,17]tetratriaconta-1(33),30(34),31-trien-28-yl]amino]-1-oxopentan-2-yl]amino]-4-(14-methylhexadecanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
78444932ChemSpider