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CHEBI:224348 - SNA-60-367-5

ChEBI IDCHEBI:224348
ChEBI NameSNA-60-367-5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H114N12O20
Net Charge0
Average Mass1491.790
Monoisotopic Mass1490.82723
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)CCCCCCCCCCC(C)C)Cc2ccc(cc2)OC1=O
InChIInChI=1S/C74H114N12O20/c1-8-44(6)63-74(105)106-50-29-25-47(26-30-50)40-56(81-65(96)51(21-17-37-75)78-66(97)52(32-35-60(92)93)77-59(91)41-49(89)20-16-14-12-10-9-11-13-15-19-42(2)3)70(101)85-64(45(7)87)72(103)80-54(33-36-61(94)95)68(99)83-62(43(4)5)73(104)86-38-18-22-57(86)71(102)79-53(31-34-58(76)90)67(98)82-55(69(100)84-63)39-46-23-27-48(88)28-24-46/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)
InChIKeyGHWIRHUMSKYNIJ-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-60-367-5 (CHEBI:224348) 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-14-methylpentadecanoyl)amino]-5-oxopentanoic acid
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78444942ChemSpider