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CHEBI:224305 - SNA-60-367-18

ChEBI IDCHEBI:224305
ChEBI NameSNA-60-367-18
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H114N12O19
Net Charge0
Average Mass1475.791
Monoisotopic Mass1474.83232
SMILESCCCCCCCCCCCCCCCC(=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/C74H114N12O19/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-25-59(90)77-52(35-38-60(91)92)66(96)78-51(23-21-40-75)65(95)81-56-43-48-28-32-50(33-29-48)105-74(104)63(45(5)8-2)84-69(99)55(42-47-26-30-49(88)31-27-47)82-67(97)53(34-37-58(76)89)79-71(101)57-24-22-41-86(57)73(103)62(44(3)4)83-68(98)54(36-39-61(93)94)80-72(102)64(46(6)87)85-70(56)100/h26-33,44-46,51-57,62-64,87-88H,7-25,34-43,75H2,1-6H3,(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)
InChIKeyNGDNPQANYNDBAJ-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-60-367-18 (CHEBI:224305) 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-(hexadecanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
78444934ChemSpider