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Concept information

Preferred term

megapolibactin b  

Type

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

Broader concept

charge

  • 0

formula

  • C38H67N11O19

inchi

  • InChI=1S/C38H67N11O19/c1-4-5-6-7-8-9-10-13-23(52)18-27(53)39-19-28(54)44-30(31(55)38(63)64)36(60)43-26(20-50)34(58)45-29(22(3)51)35(59)41-24(14-11-16-48(67)46-65)33(57)40-21(2)32(56)42-25(37(61)62)15-12-17-49(68)47-66/h21-26,29-31,50-52,55,67-68H,4-20H2,1-3H3,(H,39,53)(H,40,57)(H,41,59)(H,42,56)(H,43,60)(H,44,54)(H,45,58)(H,61,62)(H,63,64)/t21-,22+,23+,24+,25+,26-,29+,30+,31+/m0/s1

inchikey

  • RGCKNHXAIUCLAC-UDJPLWHASA-N

mass

  • 982.012

monoisotopicmass

  • 981.46147

smiles

  • O=NN(O)CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCCCC)[C@@H](O)C(=O)O)CO)[C@H](O)C)CCCN(O)N=O)C)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226465

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