EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224359 - SNA-60-367-2

ChEBI IDCHEBI:224359
ChEBI NameSNA-60-367-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H110N12O20
Net Charge0
Average Mass1463.736
Monoisotopic Mass1462.79593
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C(=O)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)CC(O)CCCCCCCCCCC(C)C)Cc2ccc(cc2)OC1=O
InChIInChI=1S/C72H110N12O20/c1-7-42(4)61-72(103)104-49-28-24-46(25-29-49)39-55(80-64(95)50(20-16-36-73)77-65(96)51(31-34-59(90)91)76-58(89)40-48(87)19-15-13-11-9-8-10-12-14-18-41(2)3)68(99)83-62(44(6)85)70(101)79-53(32-35-60(92)93)63(94)75-43(5)71(102)84-37-17-21-56(84)69(100)78-52(30-33-57(74)88)66(97)81-54(67(98)82-61)38-45-22-26-47(86)27-23-45/h22-29,41-44,48,50-56,61-62,85-87H,7-21,30-40,73H2,1-6H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)
InChIKeyFTJPYILLHHIIOP-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-60-367-2 (CHEBI:224359) 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]-19-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
78444944ChemSpider