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CHEBI:224310 - SNA-60-367-17

ChEBI IDCHEBI:224310
ChEBI NameSNA-60-367-17
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H114N12O19
Net Charge0
Average Mass1475.791
Monoisotopic Mass1474.83232
SMILESCCC(C)C1NC(=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)NC(=O)C(NC(=O)C(CCCN)NC(=O)C(CCC(=O)O)NC(=O)CCCCCCCCCCCCC(C)C)Cc2ccc(cc2)OC1=O
InChIInChI=1S/C74H114N12O19/c1-8-45(6)63-74(104)105-50-31-27-48(28-32-50)42-56(81-65(95)51(22-19-39-75)78-66(96)52(34-37-60(91)92)77-59(90)24-18-16-14-12-10-9-11-13-15-17-21-43(2)3)70(100)85-64(46(7)87)72(102)80-54(35-38-61(93)94)68(98)83-62(44(4)5)73(103)86-40-20-23-57(86)71(101)79-53(33-36-58(76)89)67(97)82-55(69(99)84-63)41-47-25-29-49(88)30-26-47/h25-32,43-46,51-57,62-64,87-88H,8-24,33-42,75H2,1-7H3,(H2,76,89)(H,77,90)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,91,92)(H,93,94)
InChIKeyNBIYGOFEGHWDDV-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-60-367-17 (CHEBI:224310) 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-methylpentadecanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
78444935ChemSpider