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Concept information

Preferred term

mutanobactin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H60N6O7S

inchi

  • InChI=1S/C36H60N6O7S/c1-7-8-9-10-11-12-13-16-27(43)29-28-19-37-31(44)25(20-50-28)40-35(48)30(22(4)5)41-33(46)26-15-14-17-42(26)36(49)23(6)38-32(45)24(18-21(2)3)39-34(29)47/h21-26,28-30H,7-20H2,1-6H3,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,41,46)/t23-,24+,25?,26+,28?,29?,30+/m1/s1

inchikey

  • WDKYFUSPNIQGDO-IBCSGKGJSA-N

mass

  • 720.970

monoisotopicmass

  • 720.42442

smiles

  • S1C2C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H](C(NC(C1)C(=O)NC2)=O)C(C)C)=O)CCC3)C)CC(C)C)C(=O)CCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (4S,7S,13R,16S)-19-decanoyl-13-methyl-16-(2-methylpropyl)-4-propan-2-yl-25-thia-2,5,11,14,17,22-hexazatricyclo[18.3.2.07,11]pentacosane-3,6,12,15,18,23-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212062

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