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CHEBI:224320 - SNA-60-367-13

ChEBI IDCHEBI:224320
ChEBI NameSNA-60-367-13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H116N12O20
Net Charge0
Average Mass1505.817
Monoisotopic Mass1504.84288
SMILESCCC(C)C1NC(=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)NC(=O)C(NC(=O)C(CCCN)NC(=O)C(CCC(=O)O)NC(=O)CC(O)CCCCCCCCCCCC(C)C)Cc2ccc(cc2)OC1=O
InChIInChI=1S/C75H116N12O20/c1-8-45(6)64-75(106)107-51-30-26-48(27-31-51)41-57(82-66(97)52(22-18-38-76)79-67(98)53(33-36-61(93)94)78-60(92)42-50(90)21-17-15-13-11-9-10-12-14-16-20-43(2)3)71(102)86-65(46(7)88)73(104)81-55(34-37-62(95)96)69(100)84-63(44(4)5)74(105)87-39-19-23-58(87)72(103)80-54(32-35-59(77)91)68(99)83-56(70(101)85-64)40-47-24-28-49(89)29-25-47/h24-31,43-46,50,52-58,63-65,88-90H,8-23,32-42,76H2,1-7H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,97)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96)
InChIKeyNJYXQFIVDKXERR-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-60-367-13 (CHEBI:224320) 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-[(3-hydroxy-15-methylhexadecanoyl)amino]-5-oxopentanoic acid
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78444937ChemSpider