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Concept information

Preferred term

سودومایسین C  

Type

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

charge

  • 0

formula

  • C53H91ClN12O20

inchi

  • InChI=1S/C53H91ClN12O20/c1-4-6-7-8-9-10-11-12-13-14-18-35(68)36(69)25-38(71)58-34-27-86-53(85)41(37(70)26-54)65-51(82)42(43(74)52(83)84)66-44(75)29(5-2)59-50(81)40(28(3)67)64-47(78)32(20-23-57)61-45(76)30(17-15-16-21-55)60-48(79)33(24-39(72)73)63-46(77)31(19-22-56)62-49(34)80/h5,28,30-37,40-43,67-70,74H,4,6-27,55-57H2,1-3H3,(H,58,71)(H,59,81)(H,60,79)(H,61,76)(H,62,80)(H,63,77)(H,64,78)(H,65,82)(H,66,75)(H,72,73)(H,83,84)/b29-5+

inchikey

  • AWTIXUKUGKVRHD-IMUCOVGGSA-N

mass

  • 1251.830

monoisotopicmass

  • 1250.61611

smiles

  • ClCC(O)C1NC(=O)C(NC(=O)/C(/NC(=O)C(NC(=O)C(NC(=O)C(NC(C(NC(C(NC(C(COC1=O)NC(=O)CC(O)C(O)CCCCCCCCCCCC)=O)CCN)=O)CC(=O)O)=O)CCCCN)CCN)C(O)C)=C/C)C(O)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[(9E)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxyhexadecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215222

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