EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224300 - SNA-60-367-19

ChEBI IDCHEBI:224300
ChEBI NameSNA-60-367-19
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H112N12O19
Net Charge0
Average Mass1461.764
Monoisotopic Mass1460.81667
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)CCCCCCCCCCCCCC(C)C)Cc2ccc(cc2)OC1=O
InChIInChI=1S/C73H112N12O19/c1-7-44(4)62-73(103)104-50-31-27-48(28-32-50)42-56(81-65(95)51(22-19-39-74)78-66(96)52(34-37-60(90)91)77-59(89)24-18-16-14-12-10-8-9-11-13-15-17-21-43(2)3)69(99)84-63(46(6)86)71(101)80-54(35-38-61(92)93)64(94)76-45(5)72(102)85-40-20-23-57(85)70(100)79-53(33-36-58(75)88)67(97)82-55(68(98)83-62)41-47-25-29-49(87)30-26-47/h25-32,43-46,51-57,62-63,86-87H,7-24,33-42,74H2,1-6H3,(H2,75,88)(H,76,94)(H,77,89)(H,78,96)(H,79,100)(H,80,101)(H,81,95)(H,82,97)(H,83,98)(H,84,99)(H,90,91)(H,92,93)
InChIKeyOGGQFTVAOXLPEC-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-60-367-19 (CHEBI:224300) 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-(15-methylhexadecanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
78444933ChemSpider