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CHEBI:224353 - SNA-60-367-4

ChEBI IDCHEBI:224353
ChEBI NameSNA-60-367-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H112N12O20
Net Charge0
Average Mass1477.763
Monoisotopic Mass1476.81158
SMILESCCC1NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(CCCN)NC(=O)C(CCC(=O)O)NC(=O)CC(O)CCCCCCCCCCC(C)C)Cc2ccc(cc2)OC(=O)C(C(C)CC)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C1=O
InChIInChI=1S/C73H112N12O20/c1-7-43(5)62-73(104)105-49-29-25-46(26-30-49)40-56(81-64(95)51(21-17-37-74)78-65(96)52(32-35-60(91)92)76-59(90)41-48(88)20-16-14-12-10-9-11-13-15-19-42(3)4)69(100)84-63(44(6)86)71(102)80-54(33-36-61(93)94)66(97)77-50(8-2)72(103)85-38-18-22-57(85)70(101)79-53(31-34-58(75)89)67(98)82-55(68(99)83-62)39-45-23-27-47(87)28-24-45/h23-30,42-44,48,50-57,62-63,86-88H,7-22,31-41,74H2,1-6H3,(H2,75,89)(H,76,90)(H,77,97)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,98)(H,83,99)(H,84,100)(H,91,92)(H,93,94)
InChIKeyZKWWUFCVOMZIEY-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-60-367-4 (CHEBI:224353) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-19-ethyl-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-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-[(3-hydroxy-14-methylpentadecanoyl)amino]-5-oxopentanoic acid
Manual XrefsDatabases
78444943ChemSpider