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CHEBI:224336 - SNA-60-367-9

ChEBI IDCHEBI:224336
ChEBI NameSNA-60-367-9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H114N12O20
Net Charge0
Average Mass1491.790
Monoisotopic Mass1490.82723
SMILESCC(C)CCCCCCCCCCCC(O)CC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(cc2)OC(=O)C(C(C)C)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/C74H114N12O20/c1-42(2)19-15-13-11-9-8-10-12-14-16-20-49(89)41-59(91)77-52(32-35-60(92)93)66(97)78-51(21-17-37-75)65(96)81-56-40-47-25-29-50(30-26-47)106-74(105)63(44(5)6)84-69(100)55(39-46-23-27-48(88)28-24-46)82-67(98)53(31-34-58(76)90)79-71(102)57-22-18-38-86(57)73(104)62(43(3)4)83-68(99)54(33-36-61(94)95)80-72(103)64(45(7)87)85-70(56)101/h23-30,42-45,49,51-57,62-64,87-89H,8-22,31-41,75H2,1-7H3,(H2,76,90)(H,77,91)(H,78,97)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,92,93)(H,94,95)
InChIKeyYSVUCLAEKACKML-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-60-367-9 (CHEBI:224336) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-4,19-di(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-[(3-hydroxy-15-methylhexadecanoyl)amino]-5-oxopentanoic acid
Manual XrefsDatabases
78444940ChemSpider