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CHEBI:224315 - SNA-60-367-14

ChEBI IDCHEBI:224315
ChEBI NameSNA-60-367-14
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H110N12O19
Net Charge0
Average Mass1447.737
Monoisotopic Mass1446.80102
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(cc2)OC(=O)C(C(C)CC)NC(=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)NC1=O
InChIInChI=1S/C72H110N12O19/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-24-58(88)76-51(34-37-59(89)90)65(95)77-50(22-20-39-73)64(94)80-55-42-47-27-31-49(32-28-47)103-72(102)61(43(3)7-2)82-67(97)54(41-46-25-29-48(86)30-26-46)81-66(96)52(33-36-57(74)87)78-69(99)56-23-21-40-84(56)71(101)44(4)75-63(93)53(35-38-60(91)92)79-70(100)62(45(5)85)83-68(55)98/h25-32,43-45,50-56,61-62,85-86H,6-24,33-42,73H2,1-5H3,(H2,74,87)(H,75,93)(H,76,88)(H,77,95)(H,78,99)(H,79,100)(H,80,94)(H,81,96)(H,82,97)(H,83,98)(H,89,90)(H,91,92)
InChIKeyAKORZGHZNSWPMF-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-60-367-14 (CHEBI:224315) 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-(hexadecanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
78444936ChemSpider