EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224331 - SNA-60-367-10

ChEBI IDCHEBI:224331
ChEBI NameSNA-60-367-10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H116N12O20
Net Charge0
Average Mass1505.817
Monoisotopic Mass1504.84288
SMILESCCCC1NC(=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)CC)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/C75H116N12O20/c1-7-20-56-74(105)87-40-19-24-59(87)72(103)80-54(33-36-60(77)91)69(100)84-57(41-47-25-29-49(89)30-26-47)70(101)85-64(45(5)9-3)75(106)107-51-31-27-48(28-32-51)42-58(71(102)86-65(46(6)88)73(104)81-55(68(99)82-56)35-38-63(95)96)83-66(97)52(23-18-39-76)79-67(98)53(34-37-62(93)94)78-61(92)43-50(90)22-17-15-13-11-10-12-14-16-21-44(4)8-2/h25-32,44-46,50,52-59,64-65,88-90H,7-24,33-43,76H2,1-6H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,99)(H,83,97)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96)
InChIKeyOXJXGUNLJLKAGJ-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-60-367-10 (CHEBI:224331) 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-propyl-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-methylhexadecanoyl)amino]-5-oxopentanoic acid
Manual XrefsDatabases
78444939ChemSpider