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Concept information

Preferred term

مارینوباکتین A  

Type

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

Broader concept

charge

  • 0

formula

  • C40H69N9O16

inchi

  • InChI=1S/C40H69N9O16/c1-4-5-6-7-8-9-10-11-12-17-31(54)47-32-33(55)39(61)41-19-18-27(43-38(32)60)35(57)46-29(22-50)36(58)42-26(15-13-20-48(64)24(2)52)34(56)45-30(23-51)37(59)44-28(40(62)63)16-14-21-49(65)25(3)53/h26-30,32-33,50-51,55,64-65H,4-23H2,1-3H3,(H,41,61)(H,42,58)(H,43,60)(H,44,59)(H,45,56)(H,46,57)(H,47,54)(H,62,63)

inchikey

  • CTWDNRFAUYCIDX-UHFFFAOYSA-N

mass

  • 932.039

monoisotopicmass

  • 931.48623

smiles

  • O=C1NCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CO)NC(C(C1O)NC(=O)CCCCCCCCCCC)=O

subset

  • 2_STAR

synonym EXACT

  • 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[8-(dodecanoylamino)-7-hydroxy-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214597

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